SCHEMBL1717641

SCHEMBL1717641

CC(C)(Cc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3099172 0.88 CYP3A4 (0.56) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6718864 0.85 CYP3A4 (0.57) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13957646 0.85 CYP3A4 (0.57) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8871858 0.84 CYP3A4 (0.59) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL17423978 0.84 SMN1; SMN2 (0.58) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8497944 0.83 CYP3A4 (0.58) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29043644 0.82 ALDH1A1 (0.54) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL2733034 0.80 TAAR1 (0.55) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL10576326 0.79 ALDH1A1 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL10576319 0.79 ALDH1A1 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854750-B1 TRPA1 ANTAGONISTS FOR REDUCING NEGATIVE SENSATIONS CAUSED BY HYDROGEN PEROXIDE PROCTER & GAMBLE (US) 2019-10-02 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0247287-A1 Agent for combating domestic dust mites together with other parasites and/or fungi Werner & Mertz GmbH (DE) 1987-12-02 EP claimed
EP-3715118-B1 ADDITIVE MANUFACTURING OF A CHOCOLATE FOOD PRODUCT CHOCOLADEFABRIKEN LINDT & SPRUENGLI AG (CH) 2023-05-03 EP disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-3715118-A1 ADDITIVE MANUFACTURING OF A CHOCOLATE FOOD PRODUCT Chocoladefabriken Lindt & Sprüngli GmbH (DE) 2020-09-30 EP disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
EP-0247287-A1 Agent for combating domestic dust mites together with other parasites and/or fungi Werner & Mertz GmbH (DE) 1987-12-02 EP disclosed