SCHEMBL15074992

SCHEMBL15074992

Nc1ccc(COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL15417636 0.91 MET (0.50) CA12CA4CA6CA5ACA7
SCHEMBL679940 0.91 ABCG2 (0.41) CA12CA4CA6CA5ACA7
SCHEMBL679257 0.90 CA12 (0.38) CA12CA4CA6CA5ACA7
SCHEMBL21715827 0.90 AKR1B10 (0.44) CA12CA4CA6CA5ACA7
SCHEMBL1563300 0.89 CA12 (0.41) CA12CA4CA6CA5ACA7
SCHEMBL21325710 0.89 ABCG2 (0.44) CA12CA4CA6CA5ACA7
SCHEMBL679372 0.88 ABCG2 (0.40) CA12CA4CA6CA5ACA7
SCHEMBL30086264 0.88 ABCG2 (0.40) CA12CA4CA6CA5ACA7
SCHEMBL18112629 0.88 ABCG2 (0.40) CA12CA4CA6CA5ACA7
SCHEMBL15071366 0.88 MAOB (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20130165598-A1 Liquid Crystal Photoalignment Agent, Liquid Crystal Photoalignment Film Using the Same, and Liquid Crystal Display Device Including the Liquid Crystal Photoalignment Film CHEIL INDUSTRIES INC. (KR) 2013-06-27 US disclosed