SCHEMBL8053383

SCHEMBL8053383

Cc1cccc(N2CCCC(C)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
TP53 P04637 2/20 0.57
NOTUM Q6P988 1/20 0.55
ADRB1 P08588 1/20 0.50
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.46
KCNH2 Q12809 2/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
GRM4 Q14833 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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 0.87 ADRB1 (0.54) MAPTTP53NOTUMADRB1ALDH1A1
SCHEMBL18194743 0.83 ADRB1 (0.55) MAPTTP53NOTUMADRB1ALDH1A1
SCHEMBL9312444 0.83 NOTUM (0.54) MAPTTP53NOTUMADRB1ALDH1A1
SCHEMBL12919 0.81 MAPT (0.52) MAPTTP53NOTUMALDH1A1L3MBTL1
SCHEMBL10662242 0.81 MAPT (0.52) MAPTTP53NOTUMALDH1A1L3MBTL1
SCHEMBL13056 0.81 MAPT (0.52) MAPTTP53NOTUMALDH1A1L3MBTL1
SCHEMBL25489327 0.80 HPGD (0.52) MAPTTP53NOTUMADRB1ALDH1A1
SCHEMBL26326846 0.80 MAPT (0.49) MAPTTP53ADRB1ALDH1A1HPGD
SCHEMBL8054516 0.80 ADRB1 (0.61) MAPTNOTUMADRB1ALDH1A1L3MBTL1
SCHEMBL26326854 0.80 MAPT (0.49) MAPTTP53ADRB1ALDH1A1HPGD

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-5635174-A USING JASMINE ABSOLUTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-06-03 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-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