SCHEMBL23282987

SCHEMBL23282987

CO[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 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.74
POLA1 P09884 1/20 0.73
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
INPP5D Q92835 1/20 0.71
ST6GAL1 P15907 2/20 0.61
VDR P11473 4/20 0.58
USP2 O75604 1/20 0.58
FOLH1 Q04609 1/20 0.58
OSBP P22059 1/20 0.57
OSBP2 Q969R2 1/20 0.57
ABCC4 O15439 1/20 0.56
FGF1 P05230 1/20 0.56
HPSE Q9Y251 1/20 0.56
CYP2C9 P11712 1/20 0.55
HIF1A Q16665 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55

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
SCHEMBL26912121 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4737651 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL26912125 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19009192 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19722006 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL17875190 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12590990 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL16248053 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10017479 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL728827 0.92 CDC25A (0.76) 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
EP-3812392-A1 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2021-04-28 EP disclosed