SCHEMBL16190088

SCHEMBL16190088

CC(CC(=O)OCC(=O)OC(C)(C)C)C1CCC2C3CCC4CC(N=O)CCC4(C)C3CCC12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.52
▸ VDR P11473 4/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CASP7 P55210 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HSPD1 P10809 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ HSPE1 P61604 1/20 0.46

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
SCHEMBL16190063 0.88 GPBAR1 (0.67) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL17311845 0.88 GPBAR1 (0.67) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL18575733 0.81 GPBAR1 (0.74) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL135412 0.80 GPBAR1 (0.73) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL16344344 0.80 GPBAR1 (0.73) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL135411 0.80 GPBAR1 (0.73) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL8737417 0.80 GPBAR1 (0.73) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL17320299 0.80 GPBAR1 (0.73) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL19497261 0.80 GPBAR1 (0.73) GPBAR1VDRHIF1ACYP2C9CASP7
SCHEMBL18575732 0.78 GPBAR1 (0.64) GPBAR1VDRHIF1ACYP2C9CASP7

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-2014171429-A1 PRODUCTION METHOD FOR SEMICONDUCTOR ELEMENT AND ION IMPLANTATION METHOD JSR株式会社 (JP) 2014-10-23 — — WO disclosed
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