SCHEMBL13664617

SCHEMBL13664617

C=CC(=O)OCOc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OCOC(=O)C=C)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
TNFRSF1A P19438 1/20 0.37
KMT2A Q03164 3/20 0.36
APP P05067 2/20 0.36
FDPS P14324 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL14088588 0.90 ALOX5 (0.41) MAOBMAOAAPPFDPSALDH1A1
SCHEMBL14088591 0.89 ALOX5 (0.42) APPFDPSALDH1A1ALOX5
SCHEMBL12154233 0.86 CYP1A1 (0.39) MAOBMAOAKMT2AKDM4EALDH1A1
SCHEMBL13664624 0.81 TDP1 (0.32) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL13664626 0.81 MAOB (0.35) MAOBKDM4EALDH1A1
SCHEMBL12567648 0.79 KMT2A (0.39) MAOBMAOAKMT2AFDPSKDM4E
SCHEMBL17431004 0.79 KMT2A (0.39) MAOBMAOAKMT2AFDPSKDM4E
SCHEMBL14063210 0.78 MGLL (0.42) MAOBMAOATNFRSF1AKMT2AFDPS
SCHEMBL13664644 0.78 AKR1C3 (0.35)
SCHEMBL13668006 0.78 LMNA (0.41) ALDH1A1SMN1; SMN2HTTLMNA

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