SCHEMBL9879622

SCHEMBL9879622

C=CC[C@H]1CO[C@H](c2ccc(C(=O)OC)cc2)OC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL9879624 1.00 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9362547 0.83 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11050519 0.82 ALDH1A1 (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11049067 0.82 NPC1 (0.34) RAB9ANPC1SMN1; SMN2
SCHEMBL10558981 0.78 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10558984 0.78 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10942155 0.77 APAF1 (0.39) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL9876131 0.77 GRM2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9876137 0.77 GRM2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL178972 0.77 NPC1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10

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
US-5053507-A Liquid crystal dopants ARAKAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-01 US disclosed