SCHEMBL6856523

SCHEMBL6856523

Cc1ccc(C([O])=O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TRPA1 O75762 2/20 0.52
CSNK2A1 P68400 1/20 0.52
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
PLG P00747 3/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1758035 0.84 NPC1 (0.56) NPC1RAB9ATRPA1CSNK2A1IDO1
SCHEMBL30578000 0.84 NPC1 (0.56) NPC1RAB9ATRPA1CSNK2A1IDO1
SCHEMBL168869 0.82 CSNK2A1 (0.69) NPC1RAB9ATRPA1CSNK2A1MAPT
SCHEMBL760290 0.82 ALDH1A1 (0.57) NPC1RAB9ATRPA1CSNK2A1IDO1
SCHEMBL29495480 0.82 ALDH1A1 (0.57) NPC1RAB9ATRPA1CSNK2A1IDO1
SCHEMBL20853603 0.82 CSNK2A1 (0.69) NPC1RAB9ATRPA1CSNK2A1MAPT
Ammonia Solution, Strong SCHEMBL25336824 0.80 CSNK2A1 (0.67) NPC1RAB9ATRPA1CSNK2A1MAPT
SCHEMBL884070 0.80 NPC1 (0.53) NPC1RAB9ATRPA1CSNK2A1IDO1
SCHEMBL8433607 0.80 NPC1 (0.53) NPC1RAB9ATRPA1CSNK2A1IDO1
SCHEMBL14724818 0.80 NPC1 (0.53) NPC1RAB9ATRPA1CSNK2A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP claimed
US-6783913-B2 POLYMERIC ACETAL RESIN CONTAINS UNITS (A), (B), (C), (D), AND (E). UNIT (A) IS A VINYL ALCOHOL UNIT. UNIT; (B) IS A POLYVINYL ACETAL UNIT CONTAINING AN R GROUP, WHERE R IS HYDROGEN, AN ALIPHATIC GROUP, AN AROMATIC GROUP, OR AN KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US claimed
US-20030198887-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing EASTMAN KODAK COMPANY 2003-10-23 US claimed
EP-1350801-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing Kodak Polychrome Graphics GmbH (DE) 2003-10-08 EP claimed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed