SCHEMBL31145625

SCHEMBL31145625

C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 1/20 0.90
▸ OSBP2 Q969R2 1/20 0.90
▸ GPBAR1 Q8TDU6 8/20 0.70
▸ EPHA2 P29317 4/20 0.70
▸ CASP7 P55210 3/20 0.70
▸ HIF1A Q16665 3/20 0.70
▸ VDR P11473 3/20 0.70
▸ TP53 P04637 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ USP2 O75604 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ CYP3A4 P08684 2/20 0.70
▸ MDM4 O15151 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ HSPD1 P10809 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ PTPN2 P17706 1/20 0.70

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
SCHEMBL16786313 1.00 OSBP (0.90) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL14770971 1.00 OSBP (0.90) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL23373110 1.00 OSBP (0.90) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL24766041 1.00 OSBP (0.90) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL16225856 0.94 OSBP (1.00) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL25335924 0.94 OSBP (1.00) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL8837063 0.94 OSBP (1.00) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL22901717 0.94 OSBP (1.00) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL22901777 0.94 OSBP (1.00) OSBPOSBP2GPBAR1EPHA2CASP7
SCHEMBL11528869 0.94 OSBP (1.00) OSBPOSBP2GPBAR1EPHA2CASP7

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-2024195903-A1 NOVEL CHOLIC ACID DERIVATIVE AND USE THEREOF 경희대학교 산학협력단 2024-09-26 — — WO claimed
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