SCHEMBL7528741

SCHEMBL7528741

CCC[C@@H](C)[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 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 2/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
GPBAR1 Q8TDU6 5/20 0.51
CASP7 P55210 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
HIF1A Q16665 3/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
BLM P54132 2/20 0.51
EPHA2 P29317 2/20 0.51
AKR1B10 O60218 2/20 0.51
AKR1B1 P15121 2/20 0.51
LMNA P02545 2/20 0.51
VDR P11473 2/20 0.51
USP2 O75604 2/20 0.51
CYP3A4 P08684 2/20 0.51
MDM4 O15151 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL2155401 0.89 CYP2D6 (0.62) GRIN2ATP53LMNAUSP2OSBP
SCHEMBL29689457 0.89 CYP2D6 (0.62) GRIN2ATP53LMNAUSP2OSBP
SCHEMBL5154450 0.87 VDR (0.69) GPBAR1CASP7HSD17B10TDP1HIF1A
SCHEMBL7666745 0.87 GPBAR1 (0.50) GRIN2AGRIN1GRIN2BGPBAR1CASP7
SCHEMBL5667888 0.87 VDR (0.69) GPBAR1CASP7HSD17B10TDP1HIF1A
SCHEMBL9580266 0.87 OSBP (0.52) GRIN2AGRIN1GRIN2BGPBAR1CASP7
SCHEMBL3130073 0.86 GPBAR1 (0.57) GPBAR1CASP7HSD17B10TDP1HIF1A
SCHEMBL11291465 0.86 GPBAR1 (0.55) GPBAR1CASP7HSD17B10TDP1HIF1A
SCHEMBL7079943 0.85 GPBAR1 (0.56) GPBAR1CASP7HSD17B10TDP1HIF1A
SCHEMBL6879512 0.84 GPBAR1 (0.55) GPBAR1CASP7HSD17B10TDP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040051-A1 Solid dispersion of ipriflavone for oral administration and its manufacturing methods KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-04-04 US claimed
WO-2002013790-A1 SOLID DISPERSION OF IPRIFLAVONE FOR ORAL ADMINISTRATION AND ITS MANUFACTURING METHODS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-02-21 WO claimed
US-9085602-B1 Facial amphiphiles and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-21 US disclosed
US-20020040051-A1 Solid dispersion of ipriflavone for oral administration and its manufacturing methods KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-04-04 US disclosed
WO-2002013790-A1 SOLID DISPERSION OF IPRIFLAVONE FOR ORAL ADMINISTRATION AND ITS MANUFACTURING METHODS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-02-21 WO disclosed