SCHEMBL9006590

SCHEMBL9006590

CC(C)C(C=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 2/20 0.41
GRIA4 P48058 4/20 0.41
NR1H4 Q96RI1 2/20 0.39
TYR P14679 1/20 0.37
ATM Q13315 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CYP1A2 P05177 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 1/20 0.35
HDAC1 Q13547 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL96262 0.79 TSHR (0.53) TSHRTP53LMNAGRIA4NR1H4
Methane SCHEMBL10638817 0.78 TSHR (0.52) TSHRTP53LMNAGRIA4NR1H4
SCHEMBL30145350 0.78 TSHR (0.52) TSHRTP53LMNAGRIA4NR1H4
SCHEMBL5803511 0.76 TSHR (0.50) TSHRTP53LMNAGRIA4NR1H4
SCHEMBL8663245 0.75 FFAR2 (0.47) TSHRTP53LMNATYRHSD17B10
SCHEMBL9979942 0.75 CYP1A2 (0.39) TYRCYP1A2ALDH1A1
SCHEMBL9714564 0.75 ESR1 (0.50) LMNATYRCYP1A2ALDH1A1HIF1A
SCHEMBL9827431 0.74 ESR1 (0.39) TSHRTP53LMNATYRCYP1A2
SCHEMBL3503957 0.74 CYP2D6 (0.41) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL22800995 0.73 TSHR (0.47) TSHRTP53LMNAGRIA4NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576011-A Method for repelling insects using cyclic organic alcohol or carbonates and device useful in carrying out such method INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1996-11-19 US disclosed
US-5449695-A Method for repelling aedes aegyptae using carbocyclic ketones, aldehydes and esters INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-09-12 US disclosed
US-5447714-A Candles with insect repellents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-09-05 US disclosed
US-5441988-A Repelling insects by exposing space to suitable quantity of 2,4-dimethyl-4-phenyl-1-butanol or alpha-terpinyl methyl ether INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-08-15 US disclosed
US-5417009-A House fly, horn fly, and mosquito repellents and apparatus useful in testing efficacy of same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-05-23 US 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
US-5344847-A Use of ketone, alcohol and schiff base-containing compositions for repelling blood feeding arthropods and apparatus for determining repellency and attractancy of semiochemicals against and for blood feeding arthropods INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-09-06 US disclosed
US-5321048-A Use of ketone and alcohol-containing compositions for repelling blood feeding arthropods INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-06-14 US disclosed
US-5281621-A Insect repelling soap for use against house flies and mosquitoes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-01-25 US disclosed
US-5250575-A Exposure to concentration in detergent or candle INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-10-05 US disclosed
US-5134892-A Electronic insect repellency and attractancy tester INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-08-04 US disclosed
US-5126369-A Mixture of Schiff bases INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-06-30 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
US-5089469-A Dehydrating nerolidol with catalyst of phosphoric acid and citric acid; for soaps, shampoos, foods, tobacco INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-02-18 US disclosed
US-4759228-A Process for determination of repellency and attractancy INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-07-26 US disclosed
US-4748860-A Apparatus for determination of insect repellency and attractancy INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-06-07 US disclosed
US-4696676-A PARAFFIN WAX CANDLES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-09-29 US disclosed
US-4693890-A Use of 1-nonen-3-ol for repelling insects INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-09-15 US disclosed
US-4449987-A HYDROCARBON WAS, A METHYL HEPTENONE; COUMARIN AND INDOLE AVON PRODUCTS, INC. (US) 1984-05-22 US disclosed