SCHEMBL2996581

SCHEMBL2996581

C=Cc1ccc(OC2CC[C@@]3(C)C(CCC4C3CC[C@@]3(C)C4CC[C@@H]3[C@H](C)CCCC(C)C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.60
POLA1 P09884 1/20 0.59
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
INPP5D Q92835 1/20 0.57
ST6GAL1 P15907 1/20 0.50
FOLH1 Q04609 1/20 0.49
VDR P11473 3/20 0.48
USP2 O75604 1/20 0.48
HPSE Q9Y251 5/20 0.48
FGF1 P05230 2/20 0.48
ABCC4 O15439 1/20 0.47
FGF2 P09038 1/20 0.47

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
SCHEMBL10298004 0.89 CDC25A (0.71) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL3005023 0.87 CDC25A (0.62) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19985105 0.87 CDC25A (0.63) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL20115482 0.87 CDC25A (0.63) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL2996579 0.84 CYP2D6 (0.49) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL15939991 0.84 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL29199051 0.84 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL105206 0.84 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL29199047 0.84 CYP2D6 (0.64) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL25280067 0.83 CDC25A (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7787085-B2 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2010-08-31 US disclosed
US-20080123046-A1 OPTICAL ALIGNMENT METHOD AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORPORATION (JP) 2008-05-29 US disclosed
US-7074344-B2 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2006-07-11 US disclosed
US-20050259203-A1 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2005-11-24 US disclosed
EP-1353217-A1 Optical alignment method and liquid crystal display element JSR Corporation (JP) 2003-10-15 EP disclosed
US-20030087045-A1 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2003-05-08 US disclosed