SCHEMBL4740475

SCHEMBL4740475

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.64
VDR P11473 5/20 0.64
CASP7 P55210 3/20 0.64
HSD17B10 Q99714 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
USP2 O75604 3/20 0.64
TP53 P04637 2/20 0.64
MAPK1 P28482 2/20 0.64
BLM P54132 2/20 0.64
EPHA2 P29317 2/20 0.64
AKR1B10 O60218 2/20 0.64
AKR1B1 P15121 2/20 0.64
LMNA P02545 2/20 0.64
HIF1A Q16665 2/20 0.64
MDM4 O15151 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
HSPD1 P10809 1/20 0.64
TSHR P16473 1/20 0.64
PTPN2 P17706 1/20 0.64

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
SCHEMBL7432513 0.89 CDC25A (0.71) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL25337901 0.86 OSBP (0.74) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL20392723 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL14983111 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL7915341 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL13356169 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL13811486 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL13588005 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL15185969 0.84 GPBAR1 (0.76) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL10624167 0.84 GPBAR1 (0.59) GPBAR1VDRCASP7HSD17B10TDP1

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-2008085492-A2 METHODS AND COMPOSITIONS FOR MODULATING BK CHANNEL ACTIVITY AND VASODILATION UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-07-17 WO disclosed