SCHEMBL7915341

SCHEMBL7915341

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.76
EPHA2 P29317 4/20 0.76
CASP7 P55210 3/20 0.76
HIF1A Q16665 3/20 0.76
VDR P11473 3/20 0.76
TP53 P04637 2/20 0.76
MAPK1 P28482 2/20 0.76
HSD17B10 Q99714 2/20 0.76
BLM P54132 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
USP2 O75604 2/20 0.76
LMNA P02545 2/20 0.76
CYP3A4 P08684 2/20 0.76
MDM4 O15151 1/20 0.76
MAPT P10636 1/20 0.76
HSPD1 P10809 1/20 0.76
TSHR P16473 1/20 0.76
PTPN2 P17706 1/20 0.76
PTPN1 P18031 1/20 0.76
BRCA1 P38398 1/20 0.76

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
SCHEMBL30594199 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL1358402 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL15292960 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL14983111 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL13356169 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL15185969 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL20392723 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL13588005 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL13811486 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR
SCHEMBL15185970 1.00 GPBAR1 (0.76) GPBAR1EPHA2CASP7HIF1AVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053550-A2 CXCR4 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed