SCHEMBL24229482

SCHEMBL24229482

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@]3(C)CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.82
▸ GPBAR1 Q8TDU6 9/20 0.66
▸ NR1H4 Q96RI1 5/20 0.66
▸ CASP7 P55210 3/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ TP53 P04637 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ MDM4 O15151 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ VDR P11473 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ PTPN2 P17706 1/20 0.66
▸ PTPN1 P18031 1/20 0.66
▸ EPHA2 P29317 1/20 0.66
▸ BRCA1 P38398 1/20 0.66

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
SCHEMBL26238244 0.88 USP2 (0.64) USP2GPBAR1NR1H4CASP7TDP1
SCHEMBL26237886 0.88 USP2 (0.64) USP2GPBAR1NR1H4CASP7TDP1
SCHEMBL22435827 0.85 USP2 (0.61) USP2GPBAR1NR1H4CASP7TDP1
SCHEMBL19135895 0.84 USP2 (0.60) USP2GPBAR1NR1H4CASP7TDP1
SCHEMBL18541413 0.83 INPP5D (0.73) USP2GPBAR1NR1H4TP53LMNA
Cholate SCHEMBL18472024 0.80 GPBAR1 (0.64) GPBAR1NR1H4CASP7TDP1TP53
Cholate SCHEMBL12568048 0.80 GPBAR1 (0.64) GPBAR1NR1H4CASP7TDP1TP53
Cholate SCHEMBL19268301 0.80 GPBAR1 (0.64) GPBAR1NR1H4CASP7TDP1TP53
Cholate SCHEMBL19273280 0.80 GPBAR1 (0.64) GPBAR1NR1H4CASP7TDP1TP53
Cholate SCHEMBL18485247 0.80 GPBAR1 (0.64) GPBAR1NR1H4CASP7TDP1TP53

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-2022023155-A1 MICROBIOLOGICAL PROCESS FOR THE PREPARATION OF URSOCHOLIC ACID CHEMELECTIVA S.R.L. (IT) 2022-02-03 — — WO disclosed
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