SCHEMBL16657456

SCHEMBL16657456

C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3F)c(C)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 1/20 0.38
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PPARD Q03181 1/20 0.35
GSTP1 P09211 2/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL13829007 0.89 MAOB (0.43) MAOBMAOAPOLBPARP14PARP10
SCHEMBL12154239 0.85 MAOB (0.37) MAOBMAOAMAPTPOLBRXRA
SCHEMBL11986094 0.83 POLB (0.43) MAPTPOLB
SCHEMBL11986151 0.82 MAPT (0.41) MAOBMAOAMAPTPOLB
SCHEMBL16746160 0.82 MAOB (0.38) MAOBMAOAMAPTPOLB
SCHEMBL12733769 0.82 KMT2A (0.39) MAPTPOLBPPARDGSTP1
SCHEMBL11986117 0.81 MAOB (0.36) MAOBMAOAMAPTPOLBPARP10
SCHEMBL11986088 0.81 HIF1A (0.38) MAOBMAOAMAPTPOLB
SCHEMBL19757163 0.81 POLB (0.41) MAPTPOLB
SCHEMBL12242783 0.80 HTT (0.43) MAOBMAOAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505980-B2 Polymerizable liquid crystal composition and optically anisotropic substance having twist alignment JNC CORPORATION (JP) 2016-11-29 US disclosed
US-9399736-B2 Optically anisotropic substance and liquid crystal display JNC CORPORATION (JP) 2016-07-26 US disclosed
US-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 US disclosed
US-20150146156-A1 OPTICALLY ANISOTROPIC SUBSTANCE AND LIQUID CRYSTAL DISPLAY JNC CORPORATION (JP) 2015-05-28 US disclosed
US-20150108401-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC SUBSTANCE HAVING TWIST ALIGNMENT JNC CORPORATION (JP) 2015-04-23 US disclosed