SCHEMBL15328751

SCHEMBL15328751

CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OCc5cc(N)cc(N)c5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
VDR P11473 4/20 0.51
POLA1 P09884 1/20 0.51
CDC25A P30304 1/20 0.51
ST6GAL1 P15907 1/20 0.51
USP2 O75604 1/20 0.50
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
ABCC4 O15439 1/20 0.49

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
SCHEMBL15329092 1.00 CA1 (0.53) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328716 0.94 CA1 (0.56) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328486 0.94 CA1 (0.56) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328719 0.93 CA1 (0.53) CA1CA2VDRPOLA1CDC25A
SCHEMBL15329057 0.93 CA1 (0.53) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328979 0.93 CA1 (0.53) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328770 0.93 CA1 (0.53) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328922 0.89 CA1 (0.51) CA1CA2VDRPOLA1CDC25A
SCHEMBL15328413 0.87 CA1 (0.49) CA1CA2VDRST6GAL1USP2
SCHEMBL15421021 0.87 CA1 (0.49) CA1CA2VDRST6GAL1USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9513511-B2 Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element having thereof CHI MEI CORPORATION (TW) 2016-12-06 US disclosed
US-20150080528-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2015-03-19 US disclosed
US-20140350179-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2014-11-27 US disclosed
US-20130281618-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2013-10-24 US disclosed