SCHEMBL4739096

SCHEMBL4739096

CCCOC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.74
POLA1 P09884 1/20 0.74
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
INPP5D Q92835 1/20 0.66
ST6GAL1 P15907 2/20 0.62
FOLH1 Q04609 2/20 0.61
HPSE Q9Y251 6/20 0.55
FGF1 P05230 5/20 0.55
USP2 O75604 1/20 0.55
VDR P11473 1/20 0.55
FGF2 P09038 4/20 0.54

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
SCHEMBL15113084 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12086538 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19009194 0.95 CDC25A (0.73) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL26913075 0.93 CDC25A (0.70) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL25565411 0.93 CDC25A (0.70) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL26913076 0.93 CDC25A (0.70) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL23813359 0.93 CDC25A (0.78) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL11994855 0.93 CDC25A (0.78) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19184920 0.93 CDC25A (0.78) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL13083162 0.93 CDC25A (0.78) CDC25APOLA1CYP2D6CYP2C19INPP5D

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