SCHEMBL4737385

SCHEMBL4737385

CCC(=O)OC1CCCC2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]34)[C@]21C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.55
POLA1 P09884 1/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
INPP5D Q92835 1/20 0.52
FNTA P49354 2/20 0.50
FNTB P49356 2/20 0.50
GPBAR1 Q8TDU6 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
EFNA1 P20827 1/20 0.50
EPHA2 P29317 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 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
SCHEMBL4736046 1.00 CDC25A (0.55) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4735035 0.93 CDC25A (0.54) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4738058 0.93 CDC25A (0.54) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4738545 0.92 CDC25A (0.53) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4737942 0.92 CDC25A (0.53) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4728278 0.92 CYP2D6 (0.55) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4737879 0.91 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4735209 0.91 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL28093232 0.91 CDC25A (0.54) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4740626 0.91 CDC25A (0.57) 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 2 patents. 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
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed