SCHEMBL28527331

SCHEMBL28527331

COC(C)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL17798296 0.93 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL30678268 0.84 NPC1 (0.62) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL6233392 0.84 NPC1 (0.62) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL4418738 0.84 TSHR (0.57) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL7917046 0.83 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL28515079 0.83 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL17824411 0.82 MAPT (0.49) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL6229106 0.81 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL27881030 0.81 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL8982618 0.80 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2NPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207817-B Poly (vinyl acetal) resin compositions, layers and interlayers having enhanced optical properties 首诺公司 2021-01-05 CN disclosed