SCHEMBL13664626

SCHEMBL13664626

C=CC(=O)OCOc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OCOC(=O)C=C)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
CYP1A1 P04798 5/20 0.34
CYP1B1 Q16678 5/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
MIF P14174 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
THRB P10828 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL14088583 0.90 THRB (0.36) MAOBCYP1A1CYP1B1ALDH1A1TDP1
SCHEMBL14088586 0.89 ALDH1A1 (0.36) MAOBCYP1A1CYP1B1ALDH1A1TDP1
SCHEMBL12154233 0.84 CYP1A1 (0.39) MAOBCYP1A1CYP1B1ALDH1A1KDM4E
SCHEMBL11986148 0.84 CYP1A1 (0.35) MAOBCYP1A1CYP1B1TDP1MIF
SCHEMBL12154240 0.82 ALDH1A1 (0.38) MAOBALDH1A1TDP1KDM4ETHRB
SCHEMBL11986165 0.81 CA12 (0.39) MAOBALDH1A1MIFCA12CA1
SCHEMBL13664617 0.81 MAOB (0.37) MAOBALDH1A1KDM4E
SCHEMBL13664618 0.80 AKR1C3 (0.35) ALDH1A1KDM4EPPARGTHRB
SCHEMBL13668003 0.79 MAOB (0.36) MAOBALDH1A1KDM4ETHRBCYP1A2
SCHEMBL14063193 0.79 VDR (0.37) MAOBCYP1A1CYP1B1ALDH1A1TDP1

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