SCHEMBL13664631

SCHEMBL13664631

C=C(F)C(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)F)cc3)cc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MAPT P10636 5/20 0.39
PPARD Q03181 3/20 0.39
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
GBA1 P04062 1/20 0.36
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
NPBWR1 P48145 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
VDR P11473 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL11986168 0.94 MAPT (0.38) KMT2AMAPTPPARDTDP1L3MBTL1
SCHEMBL13664646 0.92 PPARD (0.39) KMT2AMAPTPPARDTDP1L3MBTL1
SCHEMBL13664625 0.90 POLB (0.43) KMT2AMAPTPPARDTDP1L3MBTL1
SCHEMBL13664634 0.85 KMT2A (0.42) KMT2AMAPTTDP1LMNAPOLB
SCHEMBL13664645 0.84 KMT2A (0.44) KMT2AMAPTTDP1L3MBTL1LMNA
SCHEMBL11986094 0.84 POLB (0.43) KMT2AMAPTTDP1LMNAGBA1
SCHEMBL14590324 0.83 KMT2A (0.51) KMT2AMAPTTDP1L3MBTL1LMNA
SCHEMBL5961817 0.83 KMT2A (0.39) KMT2AMAPTPPARDTDP1L3MBTL1
SCHEMBL12733732 0.82 KMT2A (0.35) KMT2AMAPTPPARDLMNAGBA1
SCHEMBL11986167 0.82 PPARD (0.40) KMT2AMAPTPPARDTDP1L3MBTL1

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 1 patent. 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