SCHEMBL24159543

SCHEMBL24159543

CO[C@H]1CC1n1c(C)cc2ccc(C)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2A6 P11509 2/20 0.31

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
SCHEMBL21983720 1.00 MCHR1 (0.32) MCHR1KDM4EALDH1A1POLBMAPT
SCHEMBL21983723 0.79 CHRM2 (0.35) MAPTRXFP1CYP1A2CYP2A6
SCHEMBL21983714 0.74 CYP11B2 (0.43) MCHR1ALDH1A1MAPTRXFP1CYP1A2
SCHEMBL21983915 0.71 PRKACA (0.42) KDM4EALDH1A1MAPTRXFP1CYP1A2
SCHEMBL21341398 0.71 HSD11B1 (0.32) KDM4EALDH1A1
SCHEMBL21983715 0.70 CYP2A6 (0.34) KDM4EMAPTRXFP1CYP1A2CYP2A6
SCHEMBL21983718 0.68 IDH1 (0.33) MAPTRXFP1CYP1A2CYP2A6
SCHEMBL24630642 0.67 — —
SCHEMBL24943916 0.67 HSD11B1 (0.36) —
SCHEMBL24630640 0.66 HSD11B1 (0.44) —

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
EP-3932404-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-01-05 — — EP disclosed
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