SCHEMBL6558718

SCHEMBL6558718

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.74
LMNA P02545 4/20 0.57
NPC1L1 Q9UHC9 1/20 0.57
USP2 O75604 1/20 0.57
TDP1 Q9NUW8 3/20 0.57
KMT2A Q03164 2/20 0.57
FNTA P49354 2/20 0.56
FNTB P49356 2/20 0.56
HSD17B10 Q99714 2/20 0.56
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
EFNA1 P20827 1/20 0.56
EPHA2 P29317 1/20 0.56
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL29289383 1.00 GPBAR1 (0.74) GPBAR1LMNANPC1L1USP2TDP1
SCHEMBL11415673 1.00 GPBAR1 (0.74) GPBAR1LMNANPC1L1USP2TDP1
Ethylene SCHEMBL11411567 0.93 GPBAR1 (0.66) GPBAR1LMNANPC1L1USP2TDP1
SCHEMBL23695768 0.91 GPBAR1 (0.61) GPBAR1LMNANPC1L1USP2TDP1
SCHEMBL5919568 0.89 GPBAR1 (0.60) GPBAR1LMNANPC1L1USP2TDP1
SCHEMBL5919527 0.89 GPBAR1 (0.60) GPBAR1LMNANPC1L1USP2TDP1
SCHEMBL11418134 0.89 GPBAR1 (0.60) GPBAR1LMNANPC1L1USP2TDP1
SCHEMBL23845852 0.89 GPBAR1 (0.60) GPBAR1LMNANPC1L1USP2EPHA2
SCHEMBL25711971 0.87 GPBAR1 (0.58) GPBAR1LMNANPC1L1USP2EPHA2
SCHEMBL2482340 0.86 USP2 (0.73) GPBAR1LMNANPC1L1USP2FNTA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171811-A1 Nonhuman pregnane x receptor sequences for use in comparative pharmacology SMITHKLINE BEECHAM CORPORATION 2004-09-02 US disclosed
EP-1392725-A1 NONHUMAN PREGNANE X RECEPTOR SEQUENCES FOR USE IN COMPARATIVE PHARMACOLOGY SmithKline Beecham Corporation (US) 2004-03-03 EP disclosed
WO-2002094865-A1 NONHUMAN PREGNANE X RECEPTOR SEQUENCES FOR USE IN COMPARATIVE PHARMACOLOGY SMITHKLINE BEECHAM CORPORATION (US) 2002-11-28 WO disclosed