SCHEMBL14823303

SCHEMBL14823303

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@@]3(C)CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.66
▸ EPHA2 P29317 3/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ LMNA P02545 3/20 0.66
▸ AKR1B10 O60218 2/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ EFNA1 P20827 1/20 0.66
▸ PSEN1 P49768 1/20 0.66
▸ PSEN2 P49810 1/20 0.66
▸ APH1B Q8WW43 1/20 0.66
▸ NCSTN Q92542 1/20 0.66
▸ APH1A Q96BI3 1/20 0.66
▸ PSENEN Q9NZ42 1/20 0.66
▸ NR1H4 Q96RI1 4/20 0.60
▸ CASP7 P55210 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAPK1 P28482 2/20 0.53

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
SCHEMBL27494141 0.82 CDC25A (0.55) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL7946989 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL190520 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL13811793 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL25023044 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL25023120 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL18575999 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL25021694 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL13916483 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA
Ursocholanic Acid SCHEMBL22871921 0.80 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1LMNA

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-8410083-B2 23-substituted bile acids as TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
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