SCHEMBL19853987

SCHEMBL19853987

C#C[C@H](CCCC(C)C)[C@H]1CCC2C3CCC4C[C@@H](CNC(=O)C=C)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.47
▸ POLA1 P09884 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ VDR P11473 5/20 0.46
▸ INPP5D Q92835 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ GPBAR1 Q8TDU6 4/20 0.45
▸ CASP7 P55210 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ BLM P54132 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ EPHA2 P29317 2/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HSPD1 P10809 1/20 0.45

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
SCHEMBL19853980 0.91 POLA1 (0.45) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL20374720 0.89 CYP2C19 (0.60) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL20370391 0.89 CYP2C19 (0.60) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL19853985 0.87 BCHE (0.51) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL19853973 0.87 BCHE (0.51) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL19853977 0.85 CDC25A (0.55) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL20370394 0.80 CYP2D6 (0.57) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL20374644 0.80 CYP2D6 (0.57) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL20370392 0.78 CYP2C19 (0.61) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL20374500 0.78 CYP2C19 (0.61) CDC25APOLA1CYP2D6CYP2C19VDR

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-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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