SCHEMBL7524221

SCHEMBL7524221

Cc1ccc(C(=O)OC2CCCCC2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.45
STS P08842 3/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK10 P53779 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 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
SCHEMBL5695936 0.88 CSNK2A1 (0.49) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL10786846 0.85 ABCC1 (0.47) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL25262379 0.84 TDP1 (0.56) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL10721944 0.84 TDP1 (0.56) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL21802714 0.84 NPC1 (0.48) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL10784661 0.84 ABCC1 (0.46) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL10635329 0.82 SERPINE1 (0.50) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL11674716 0.82 GAA (0.55) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL28421058 0.81 NPC1 (0.43) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL10789527 0.81 NPSR1 (0.44) NPC1RAB9AKMT2AMEN1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131201-C Method for preparing scenting compositions and scented products, and resulting products RHODIA CHEMIE (FR) 2003-12-17 CN claimed
US-6458757-B1 PROCESS FOR THE PRODUCTION OF PERFUMING COMPOSITIONS, PERFUMED PRODUCTS AND SUBSTANCES FOR PERFUMERY CHARACTERIZED IN THAT THEY COMPRISE, AS AN ACTIVE INGREDIENT WITH AN INFLUENCE ON THE SCENT, AN EFFECTIVE QUANTITY OF AN ALKYLSALICYLIC ACID Chimie, Rhodia (FR) 2002-10-01 US claimed
EP-0876325-B1 METHOD FOR PREPARING SCENTING COMPOSITIONS AND SCENTED PRODUCTS, AND RESULTING PRODUCTS RHODIA CHIMIE SA (FR) 2002-01-09 EP claimed
CN-1202881-A Process for preparing a perfuming composition and a perfumed product, and resulting product RHODIA CHIMIE SA (FR) 1998-12-23 CN claimed
CN-1131201-C Method for preparing scenting compositions and scented products, and resulting products RHODIA CHEMIE (FR) 2003-12-17 CN disclosed
US-6458757-B1 PROCESS FOR THE PRODUCTION OF PERFUMING COMPOSITIONS, PERFUMED PRODUCTS AND SUBSTANCES FOR PERFUMERY CHARACTERIZED IN THAT THEY COMPRISE, AS AN ACTIVE INGREDIENT WITH AN INFLUENCE ON THE SCENT, AN EFFECTIVE QUANTITY OF AN ALKYLSALICYLIC ACID Chimie, Rhodia (FR) 2002-10-01 US disclosed
CN-1202881-A Process for preparing a perfuming composition and a perfumed product, and resulting product RHODIA CHIMIE SA (FR) 1998-12-23 CN disclosed