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Sugi Predict / Compounds / SCHEMBL4736092

SCHEMBL4736092

SCHEMBL4736092

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]32)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.69
▸ POLA1 P09884 1/20 0.68
▸ USP2 O75604 1/20 0.62
▸ VDR P11473 1/20 0.62
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ INPP5D Q92835 1/20 0.58
▸ ST6GAL1 P15907 1/20 0.58

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
SCHEMBL4738005 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4739286 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4736748 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4738483 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4735751 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4734430 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4735706 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4736131 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4786742 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL10021600 1.00 CDC25A (0.69) CDC25APOLA1USP2VDRCYP2D6

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