SCHEMBL3130073

SCHEMBL3130073

C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)C(O)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.57
EPHA2 P29317 4/20 0.57
CASP7 P55210 3/20 0.57
HSD17B10 Q99714 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
HIF1A Q16665 3/20 0.57
TP53 P04637 2/20 0.57
MAPK1 P28482 2/20 0.57
BLM P54132 2/20 0.57
CYP3A4 P08684 2/20 0.57
AKR1B10 O60218 2/20 0.57
AKR1B1 P15121 2/20 0.57
LMNA P02545 2/20 0.57
VDR P11473 2/20 0.57
USP2 O75604 2/20 0.57
MDM4 O15151 1/20 0.57
MAPT P10636 1/20 0.57
HSPD1 P10809 1/20 0.57
TSHR P16473 1/20 0.57
PTPN2 P17706 1/20 0.57

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
SCHEMBL5667888 0.91 VDR (0.69) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL5154450 0.91 VDR (0.69) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL7079943 0.89 GPBAR1 (0.56) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL15539189 0.88 GPBAR1 (0.71) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL7528741 0.86 GRIN2A (0.52) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL17501642 0.85 GPBAR1 (0.73) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL7666745 0.84 GPBAR1 (0.50) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL2155401 0.84 CYP2D6 (0.62) TP53LMNAUSP2CYP2C19MEN1
SCHEMBL29689457 0.84 CYP2D6 (0.62) TP53LMNAUSP2CYP2C19MEN1
SCHEMBL6879512 0.84 GPBAR1 (0.55) GPBAR1EPHA2CASP7HSD17B10TDP1

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-2010033637-A1 DISSOLUTION OF ARTERIAL PLAQUE Z & Z MEDICAL HOLDINGS, INC. (US) 2010-03-25 WO disclosed