SCHEMBL15043358

SCHEMBL15043358

CC(C)CC(C)C1CCC2C3CCC4CC(OCOc5cc(N)cc(N)c5)CCC4(C)C3CCC12C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.50
POLA1 P09884 1/20 0.50
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
VDR P11473 3/20 0.45
USP2 O75604 1/20 0.45
INPP5D Q92835 1/20 0.45
GPBAR1 Q8TDU6 2/20 0.44
ST6GAL1 P15907 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
ABCC4 O15439 1/20 0.44

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
SCHEMBL104504 0.91 CDC25A (0.63) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL15043353 0.87 CDC25A (0.51) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL12577627 0.82 CDC25A (0.61) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL15043346 0.81 VDR (0.55) CDC25APOLA1VDRUSP2GPBAR1
SCHEMBL15043356 0.81 CDC25A (0.49) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL105206 0.80 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL29199051 0.80 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL29199047 0.80 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL15939991 0.80 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19VDR
SCHEMBL15043340 0.79 CDC25A (0.47) CDC25APOLA1CYP2D6CYP2C19VDR

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
US-20130155360-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD OF MANUFACTURING THE SAME SONY CORPORATION (JP) 2013-06-20 US disclosed