SCHEMBL19853980

SCHEMBL19853980

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.45
▸ CDC25A P30304 1/20 0.45
▸ CCR1 P32246 2/20 0.45
▸ CD4 P01730 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ VDR P11473 3/20 0.44
▸ INPP5D Q92835 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CASP7 P55210 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GPBAR1 Q8TDU6 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSPD1 P10809 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
SCHEMBL19853987 0.91 CDC25A (0.47) POLA1CDC25ACCR1CYP2D6CYP2C19
SCHEMBL20370394 0.90 CYP2D6 (0.57) POLA1CDC25ACCR1CD4CYP2D6
SCHEMBL20374644 0.90 CYP2D6 (0.57) POLA1CDC25ACCR1CD4CYP2D6
SCHEMBL19853985 0.86 BCHE (0.51) POLA1CDC25ACYP2D6CYP2C19VDR
SCHEMBL19853973 0.86 BCHE (0.51) POLA1CDC25ACYP2D6CYP2C19VDR
SCHEMBL19853977 0.86 CDC25A (0.55) POLA1CDC25ACYP2D6CYP2C19VDR
SCHEMBL20374720 0.80 CYP2C19 (0.60) POLA1CDC25ACCR1CD4CYP2D6
SCHEMBL20370391 0.80 CYP2C19 (0.60) POLA1CDC25ACCR1CD4CYP2D6
SCHEMBL19853989 0.80 CDC25A (0.47) POLA1CDC25ACCR1CD4CYP2D6
SCHEMBL19722436 0.78 CDC25A (0.44) POLA1CDC25ACCR1CD4CYP2D6

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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