SCHEMBL11986149

SCHEMBL11986149

C=C(C)C(=O)OCOc1ccc(C=CC(=O)Oc2ccc(C(c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C(=C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 4/20 0.41
PPARA Q07869 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.36
HPGD P15428 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
SCHEMBL11986146 0.86 KMT2A (0.43) CYP1A1CYP1B1MAOBKMT2APPARA
SCHEMBL11986103 0.85 PPARD (0.39) CYP1A1CYP1B1MAOBKMT2APPARA
SCHEMBL11986144 0.85 MAOB (0.35) CYP1A1CYP1B1MAOBPPARA
SCHEMBL11986133 0.82 TDP1 (0.43) MAOBKMT2AMAPTLMNA
SCHEMBL11986155 0.81 MAPT (0.43) KMT2AMAPTALDH1A1LMNAKDM4E
SCHEMBL16425364 0.81 SNCA (0.42) KMT2AMAPTALDH1A1LMNAMEN1
SCHEMBL16425271 0.81 CA12 (0.50) MAOBKMT2AMAPTLMNAKDM4E
SCHEMBL12517649 0.80 PPARA (0.53) CYP1A1CYP1B1MAOBPPARAHPGD
SCHEMBL16657452 0.80 KMT2A (0.38) CYP1A1CYP1B1MAOBKMT2APPARA
SCHEMBL17430973 0.80 KMT2A (0.38) CYP1A1CYP1B1MAOBKMT2APPARA

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