SCHEMBL19853977

SCHEMBL19853977

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.55
▸ POLA1 P09884 1/20 0.55
▸ FOLH1 Q04609 2/20 0.48
▸ VDR P11473 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ABCC4 O15439 2/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GPBAR1 Q8TDU6 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
SCHEMBL20374532 0.90 CDC25A (0.69) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL20370397 0.90 CDC25A (0.69) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19853980 0.86 POLA1 (0.45) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL10806748 0.85 CDC25A (0.67) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19853987 0.85 CDC25A (0.47) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL19853973 0.83 BCHE (0.51) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19853985 0.83 BCHE (0.51) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19854980 0.82 CDC25A (0.55) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL20370393 0.79 CDC25A (0.69) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL20374528 0.79 CDC25A (0.69) CDC25APOLA1FOLH1VDRUSP2

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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