SCHEMBL13664643

SCHEMBL13664643

C=C(F)C(=O)OCOc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OCOC(=O)C(=C)F)cc3)c(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
FDPS P14324 1/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL16657453 0.90 KMT2A (0.48) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL16425326 0.90 KMT2A (0.48) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12154228 0.86 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL16425410 0.86 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL11986168 0.80 MAPT (0.38) KMT2AKDM4EMAPTLMNA
SCHEMBL16425333 0.79 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL19026831 0.78 KMT2A (0.54) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL13664646 0.78 PPARD (0.39) KMT2AMAPTLMNACYP2C9
SCHEMBL17430973 0.78 KMT2A (0.38) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL16657452 0.78 KMT2A (0.38) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed