SCHEMBL30016645

SCHEMBL30016645

COc1cc(/C=C/C(=O)OCC(CO)OC(=O)CCCC[C@@H]2CCSS2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.46
▸ MET P08581 8/20 0.43
▸ CA12 O43570 3/20 0.42
▸ CA4 P22748 3/20 0.42
▸ CA6 P23280 3/20 0.42
▸ CA5A P35218 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ CA5B Q9Y2D0 3/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TTR P02766 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL2833864 0.80 PRKCA (0.57) MAOBHPGDMAPTCYP2D6
SCHEMBL9906246 0.80 APP (0.49) MAOBMETCA12CA4CA6
SCHEMBL2832034 0.78 MAOB (0.66) MAOBMETCA12CA4CA6
SCHEMBL24709328 0.76 MAOB (0.33) MAOBMETCA12CA4CA6
SCHEMBL2832869 0.76 MAOB (0.55) MAOBMETHPGDMAPTCYP2D6
SCHEMBL12798285 0.76 MAOB (0.62) MAOBMETCA12CA4CA6
SCHEMBL12731796 0.74 MAOB (0.60) MAOBMETCA12CA4CA6
SCHEMBL12731794 0.74 CA12 (0.63) MAOBMETCA12CA4CA6
SCHEMBL12731880 0.74 MAOB (0.63) MAOBMETCA12CA4CA6
SCHEMBL30016723 0.74 HSD17B10 (0.40) ALDH1A1LMNACYP2C9TSHRHSD17B10

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
WO-2022260401-A1 NOVEL GLYCERIDE COMPOUND, AND METHOD FOR PREPARING SAME 명지대학교 산학협력단 2022-12-15 — — WO disclosed
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