SCHEMBL6856233

SCHEMBL6856233

COc1ccc(O)c(C([O])=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HPGD P15428 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TP53 P04637 2/20 0.55
ALOX12 P18054 2/20 0.55
ALOX15 P16050 3/20 0.54
CYP1A2 P05177 2/20 0.54
PGR P06401 2/20 0.54
SLC6A2 P23975 2/20 0.54
CYP2C19 P33261 2/20 0.54

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
SCHEMBL28093168 0.86 RAB9A (0.71) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL6851855 0.84 NPC1 (0.75) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL29445806 0.84 ALDH1A1 (0.72) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL29431885 0.84 CA1 (0.61) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL128781 0.84 CA1 (0.61) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL312754 0.84 ALDH1A1 (0.72) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL3175654 0.82 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1MAPK1
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL643758 0.82 CA1 (0.72) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL865333 0.82 SMN1; SMN2 (0.59) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL4954916 0.82 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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