SCHEMBL4739418

SCHEMBL4739418

CC(C)COC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.61
▸ POLA1 P09884 1/20 0.61
▸ VDR P11473 3/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ INPP5D Q92835 1/20 0.53
▸ ST6GAL1 P15907 2/20 0.53
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL4739235 0.92 CDC25A (0.61) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL4739243 0.89 CDC25A (0.58) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL4735348 0.89 CDC25A (0.58) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL4735216 0.88 CDC25A (0.77) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL4735308 0.88 VDR (0.58) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL21928679 0.87 VDR (0.60) CDC25APOLA1VDRUSP2ABCC4
SCHEMBL4739495 0.87 VDR (0.57) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL4740584 0.85 VDR (0.56) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL29578640 0.85 CDC25A (0.57) CDC25APOLA1VDRUSP2CYP2D6
SCHEMBL10017499 0.85 CDC25A (0.68) CDC25APOLA1VDRUSP2CYP2D6

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-2008077247-A1 COATINGS FOR IMPLANTABLE MEDICAL DEVICES COMPRISING CHOLESTEROL MIV THERAPEUTICS INC. (CA) 2008-07-03 — — WO disclosed
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