SCHEMBL19853989

SCHEMBL19853989

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

nearest known ligand 0.47

Predicted protein targets (top 18)

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
▸ CCR1 P32246 2/20 0.46
▸ CD4 P01730 2/20 0.46
▸ INPP5D Q92835 1/20 0.46
▸ VDR P11473 3/20 0.44
▸ GPBAR1 Q8TDU6 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL20370395 0.92 CYP2D6 (0.57) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL20374711 0.92 CYP2D6 (0.57) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL19854555 0.85 CDC25A (0.47) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL20370394 0.83 CYP2D6 (0.57) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL20374644 0.83 CYP2D6 (0.57) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL20374500 0.83 CYP2C19 (0.61) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL20370392 0.83 CYP2C19 (0.61) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19853980 0.80 POLA1 (0.45) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL19855643 0.80 CDC25A (0.43) CDC25APOLA1CYP2D6CYP2C19CCR1
SCHEMBL19855603 0.80 CDC25A (0.43) CDC25APOLA1CYP2D6CYP2C19CCR1

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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