SCHEMBL19854124

SCHEMBL19854124

C=C(C)C(=O)OCC(CN)CCC[C@H]1CC[C@@]2(C)C(CC[C@@H]3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCCC(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ CDC25A P30304 3/20 0.53
▸ POLA1 P09884 1/20 0.53
▸ INPP5D Q92835 1/20 0.53
▸ CD4 P01730 3/20 0.49
▸ CCR1 P32246 1/20 0.48
▸ VDR P11473 5/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GPBAR1 Q8TDU6 3/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CASP7 P55210 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

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
SCHEMBL20882355 1.00 CYP2D6 (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL23635587 1.00 CYP2D6 (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL21398600 1.00 CYP2D6 (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20882157 0.94 CYP2D6 (0.52) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL21398538 0.94 CYP2D6 (0.52) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL23635540 0.94 CYP2D6 (0.52) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL23635571 0.93 CDC25A (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL21398598 0.93 CDC25A (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL23635591 0.92 CDC25A (0.53) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL21398596 0.92 CDC25A (0.53) CYP2D6CYP2C19CDC25APOLA1INPP5D

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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