SCHEMBL11986148

SCHEMBL11986148

C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(C(c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.35
CYP1B1 Q16678 5/20 0.35
MAOB P27338 3/20 0.35
MIF P14174 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
THRB P10828 2/20 0.30
ESR1 P03372 1/20 0.30
USP30 Q70CQ3 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTPN1 P18031 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12154300 0.89 ESR1 (0.40) CYP1A1CYP1B1MAOBTHRBESR1
SCHEMBL11986144 0.87 MAOB (0.35) CYP1A1CYP1B1MAOBCA12CA1
SCHEMBL11986146 0.84 KMT2A (0.43) CYP1A1CYP1B1MAOBTHRBKMT2A
SCHEMBL13664626 0.84 MAOB (0.35) CYP1A1CYP1B1MAOBMIFCA12
SCHEMBL11986165 0.83 CA12 (0.39) MAOBMIFCA12CA1CA2
SCHEMBL11986132 0.83 CYP11B1 (0.34) MAOBTHRBKMT2A
SCHEMBL11986145 0.81 FFAR1 (0.34) THRBKMT2A
SCHEMBL13289689 0.78 USP30 (0.37) CYP1A1CYP1B1MAOBMIFCA12
SCHEMBL17720311 0.78 LSS (0.36) THRBKMT2A
SCHEMBL11986103 0.77 PPARD (0.39) CYP1A1CYP1B1MAOBESR1TDP1

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-9315728-B2 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film JNC CORPORATION (JP) 2016-04-19 US disclosed
US-8419973-B2 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8246855-B2 Polymerizable liquid crystal composition and optically anisotropic film using the same JNC CORPORATION (JP) 2012-08-21 US disclosed
US-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 US disclosed
US-20100051866-A1 Polymerizable liquid crystal composition and optically anisotropic film using the same JNC PETROCHEMICAL CORPORATION (JP) 2010-03-04 US disclosed