SCHEMBL13963232

SCHEMBL13963232

C=CC(=O)Cc1ccc2cc(/C=C/C(=O)Oc3ccc(COC(=O)C=C)cc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
TTR P02766 1/20 0.43
CA12 O43570 4/20 0.41
CA4 P22748 4/20 0.41
CA6 P23280 4/20 0.41
CA5A P35218 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA5B Q9Y2D0 4/20 0.41
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
MET P08581 4/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CA1 P00915 2/20 0.38
MEN1 O00255 1/20 0.38
APP P05067 2/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL13963254 0.97 AKR1B10 (0.41) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL13963245 0.93 AKR1B10 (0.41) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL13963272 0.90 MAPT (0.42) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL13963229 0.87 AKR1B10 (0.40) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL13963258 0.85 AKR1B10 (0.38) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL12242528 0.83 CA12 (0.43) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL12242530 0.83 CA12 (0.43) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL13963295 0.83 THRB (0.40) THRBMETMAOB
SCHEMBL13963285 0.82 MEN1 (0.34) AKR1B10AKR1B1TTRCA12CA4
SCHEMBL13963251 0.81 AKR1B10 (0.38) AKR1B10AKR1B1TTRCA12CA4

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
US-9005477-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2015-04-14 US disclosed
US-20120292567-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-11-22 US disclosed