SCHEMBL10084605

SCHEMBL10084605

CO[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCC(=O)O)CC[C@H]3[C@H]12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 14/20 0.66
▸ NR1H4 Q96RI1 4/20 0.65
▸ ENPP2 Q13822 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ EPHA2 P29317 2/20 0.64
▸ VDR P11473 1/20 0.64
▸ SLC10A2 Q12908 2/20 0.61
▸ SLC10A1 Q14973 2/20 0.61
▸ ABCC4 O15439 1/20 0.60
▸ ABCC1 P33527 1/20 0.60

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
SCHEMBL22738617 0.90 GPBAR1 (0.81) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL19858469 0.90 GPBAR1 (0.80) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL19858468 0.90 GPBAR1 (0.80) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL10084602 0.89 GPBAR1 (0.81) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL6364729 0.84 EPHA2 (0.84) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL4326984 0.84 EPHA2 (0.84) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL4326989 0.84 EPHA2 (0.84) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL21444661 0.81 NR1H4 (0.69) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL31603996 0.81 GPBAR1 (0.61) GPBAR1NR1H4ENPP2ABCB11EPHA2
SCHEMBL25706030 0.81 GPBAR1 (0.72) GPBAR1NR1H4ENPP2ABCB11EPHA2

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-2012010516-A1 GROWTH HORMONE CONJUGATES NOVO NORDISK HEALTH CARE AG (CH) 2012-01-26 — — WO disclosed
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