SCHEMBL9760003

SCHEMBL9760003

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 13/20 0.72
NR1H4 Q96RI1 3/20 0.56
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
EPHA2 P29317 2/20 0.53
LMNA P02545 2/20 0.53
EFNA1 P20827 1/20 0.53
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CASP7 P55210 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52

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
SCHEMBL11011269 1.00 GPBAR1 (0.72) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL232939 0.89 GPBAR1 (0.57) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL4624060 0.85 GPBAR1 (0.73) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL3125136 0.85 GPBAR1 (0.73) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL8971541 0.84 GPBAR1 (0.74) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL20065894 0.83 GPBAR1 (1.00) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL593585 0.83 GPBAR1 (1.00) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL592955 0.83 GPBAR1 (1.00) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL22192109 0.83 GPBAR1 (1.00) GPBAR1NR1H4HSD17B10TDP1AKR1B10
SCHEMBL15896184 0.83 GPBAR1 (1.00) GPBAR1NR1H4HSD17B10TDP1AKR1B10

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-4981983-A Derivatives of biliary acids, process for the production thereof and corresponding pharmaceutical compositions GIPHARMEX S.P.A. (IT) 1991-01-01 US disclosed