Sugi Predict

Sugi Predict / Compounds / Epicoprosterol

Epicoprosterol

Epicoprosterol

SCHEMBL4734944

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

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.77
▸ CASP7 P55210 3/20 0.77
▸ VDR P11473 3/20 0.77
▸ EPHA2 P29317 3/20 0.77
▸ HIF1A Q16665 3/20 0.77
▸ TP53 P04637 2/20 0.77
▸ MAPK1 P28482 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77
▸ USP2 O75604 2/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ MDM4 O15151 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ HSPD1 P10809 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ PTPN2 P17706 1/20 0.77
▸ PTPN1 P18031 1/20 0.77
▸ BRCA1 P38398 1/20 0.77
▸ HSPE1 P61604 1/20 0.77

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
SCHEMBL29496910 0.91 GPBAR1 (0.88) GPBAR1CASP7VDREPHA2HIF1A
SCHEMBL22572513 0.91 GPBAR1 (0.88) GPBAR1CASP7VDREPHA2HIF1A
SCHEMBL25523049 0.90 GPBAR1 (0.86) GPBAR1CASP7VDREPHA2HIF1A
SCHEMBL18575976 0.90 GPBAR1 (0.86) GPBAR1CASP7VDREPHA2HIF1A
Valeric Acid SCHEMBL4786391 0.90 EPHA2 (0.75) GPBAR1CASP7VDREPHA2HIF1A
Epicoprosterol SCHEMBL25267973 0.89 OSBP (0.78) GPBAR1CASP7VDREPHA2HIF1A
Epicoprosterol SCHEMBL21000320 0.89 OSBP (0.78) GPBAR1CASP7VDREPHA2HIF1A
Epicoprosterol SCHEMBL9906585 0.89 OSBP (0.78) GPBAR1CASP7VDREPHA2HIF1A
Epicoprosterol SCHEMBL22018677 0.89 OSBP (0.78) GPBAR1CASP7VDREPHA2HIF1A
Epicoprosterol SCHEMBL10066473 0.89 OSBP (0.78) GPBAR1CASP7VDREPHA2HIF1A

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-2008077247-A1 COATINGS FOR IMPLANTABLE MEDICAL DEVICES COMPRISING CHOLESTEROL MIV THERAPEUTICS INC. (CA) 2008-07-03 — — WO disclosed
Send feedback