SCHEMBL8054516

SCHEMBL8054516

Cc1cccc(N2CCC(C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.61
NOTUM Q6P988 1/20 0.56
KCNH2 Q12809 2/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
CASP3 P42574 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GPR119 Q8TDV5 1/20 0.51
LMNA P02545 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
DHFR P00374 1/20 0.46
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20133603 0.93 ADRB1 (0.54) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL10373770 0.84 ADRB1 (0.74) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL11103700 0.84 ADRB1 (0.74) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL9982790 0.84 ADRB1 (0.59) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL23731860 0.84 NOTUM (0.59) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL14578437 0.81 ADRA2C (0.62) ADRB1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL18194743 0.81 ADRB1 (0.55) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL16591621 0.81 ADRB1 (0.56) ADRB1NOTUMKCNH2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9876690 0.81 ADRB1 (0.56) ADRB1NOTUMKCNH2ALDH1A1MAPT
SCHEMBL17754015 0.81 ADRB1 (0.56) ADRB1NOTUMKCNH2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143288-A USING BORNEOL, OR RACEMIC MIXTURE THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-11-07 US disclosed
EP-1042953-A2 Use of acyclic and carbocylic ketones, alcohols, aldehydes, nitriles and esters for repelling or attracting insects INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-10-11 EP disclosed
US-5855903-A WASHING CLOTHES WITH REPELLENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1999-01-05 US disclosed
EP-0629344-B1 Acyclic and carbocyclic ketones, alcohols, aldehydes nitriles and esters and uses thereof for their insect repellency and attractancy properties INT FLAVORS & FRAGRANCES INC (US) 1998-10-28 EP disclosed
US-5785982-A INSECT REPELLENT SOAPS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-07-28 US disclosed
EP-0815728-A2 Acyclic and carbocyclic ketones, alcohols, aldehydes, nitriles and esters and uses thereof for their insect repellency properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-01-07 EP disclosed
US-5665781-A Use of unsaturated aldehyde and alkanol derivatives for their mosquito repellency properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-09-09 US disclosed
US-5635173-A EXPOSING THE ENVIRONMENT SURROUNDING THE TRAP TO AN INSECT ATTRACTANT CONTAINING A MIXTURE OF BIODEGRADABLE POLYCAPROLACTONE OR POLYURETHANE AND D-LIMONENE INTERNATIONAL FLAVORS & FRAGRANCES (US) 1997-06-03 US disclosed
US-5635174-A USING JASMINE ABSOLUTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-06-03 US disclosed
US-5633236-A SILANEDIOL, BORATE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-05-27 US disclosed
EP-0660667-A1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME. INT FLAVORS & FRAGRANCES INC (US) 1995-07-05 EP disclosed
US-5401500-A House flies attracted with benzoin group and dimethyl benzyl carbinyl acetate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-03-28 US disclosed
EP-0629344-A2 Acyclic and carbocyclic ketones, alcohols, aldehydes nitriles and esters and uses thereof for their insect repellency and attractancy properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-12-21 EP disclosed
US-5354783-A Method for repelling Aedes aegyptae using carbocyclic ketones, and aldehyde in admixture INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-10-11 US disclosed
WO-1994006295-A1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-03-31 WO disclosed
US-5250575-A Exposure to concentration in detergent or candle INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-10-05 US disclosed
US-5175175-A Mixture of 1-octen-4-ol and Schiff base INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-12-29 US disclosed
US-5165926-A Mosquitoes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-11-24 US disclosed
US-5118711-A Ketone, ketoesters and alcohol in repelling insects; use of aliphatic ester in attracting insects and process and apparatus for determination of insect repellency and attractancy INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-06-02 US disclosed
US-5091423-A Using a damascone compound INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) 1992-02-25 US disclosed