SCHEMBL16657452

SCHEMBL16657452

C=C(C)C(=O)OCOc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OCOC(=O)C(=C)C)cc3)c(C(F)(F)F)c2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
MAOB P27338 1/20 0.37
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
FDPS P14324 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 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
SCHEMBL17430973 1.00 KMT2A (0.38) KMT2AKDM4EALDH1A1SMN1; SMN2CYP1A1
SCHEMBL17431004 0.88 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2CYP1A1
SCHEMBL12567648 0.88 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2CYP1A1
SCHEMBL16657453 0.85 KMT2A (0.48) KMT2AKDM4EALDH1A1SMN1; SMN2MAOB
SCHEMBL16425326 0.85 KMT2A (0.48) KMT2AKDM4EALDH1A1SMN1; SMN2MAOB
SCHEMBL16425333 0.82 KMT2A (0.40) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL12154233 0.80 CYP1A1 (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2CYP1A1
SCHEMBL16425334 0.80 KDM4E (0.41) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL11986149 0.80 CYP1A1 (0.42) KMT2AKDM4EALDH1A1CYP1A1CYP1B1
SCHEMBL14984610 0.80 PPARD (0.32) POLBAPEX1HTTTDP1

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 4 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-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