SCHEMBL13664645

SCHEMBL13664645

C=C(F)C(=O)OCOc1ccc(OCOc2ccc3cc(OC(=O)c4ccc(OCOC(=O)C(=C)F)cc4)ccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
GBA1 P04062 2/20 0.39
HGFAC Q04756 2/20 0.38
TMPRSS2 O15393 1/20 0.38
MLNR O43193 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
C1R P00736 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F12 P00748 1/20 0.38
LMNA P02545 1/20 0.38
ITGB3 P05106 1/20 0.38
HPN P05981 1/20 0.38
KLK1 P06870 1/20 0.38
PRSS1 P07477 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL13664634 0.91 KMT2A (0.42) KMT2AMAPTTDP1MEN1HGFAC
SCHEMBL12242721 0.86 TDP1 (0.47) KMT2AMAPTTDP1MEN1GBA1
SCHEMBL13664631 0.84 KMT2A (0.39) KMT2AMAPTTDP1GBA1ALDH1A1
SCHEMBL13664646 0.83 PPARD (0.39) KMT2AMAPTTDP1LMNAL3MBTL1
SCHEMBL11986168 0.83 MAPT (0.38) KMT2AMAPTTDP1GBA1LMNA
SCHEMBL12242811 0.81 TDP1 (0.43) KMT2AMAPTTDP1MEN1GBA1
SCHEMBL12242804 0.81 TDP1 (0.44) KMT2AMAPTTDP1MEN1GBA1
SCHEMBL10308958 0.81 KMT2A (0.46) KMT2AMAPTTDP1MEN1GBA1
SCHEMBL12242645 0.80 TDP1 (0.46) KMT2AMAPTTDP1MEN1GBA1
SCHEMBL12242692 0.79 TDP1 (0.43) KMT2AMAPTTDP1MEN1GBA1

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