SCHEMBL13664634

SCHEMBL13664634

C=C(F)C(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)F)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
HSD17B10 Q99714 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PRSS1 P07477 4/20 0.39
ACR P10323 2/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
F2 P00734 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL13664645 0.91 KMT2A (0.44) KMT2APRSS1LMNAF2MAPT
SCHEMBL13664631 0.85 KMT2A (0.39) KMT2ALMNANPC1MAPTPOLB
SCHEMBL13664636 0.85 POLB (0.51) KMT2AHSD17B10PARP10PRSS1ACR
SCHEMBL13664646 0.84 PPARD (0.39) KMT2ALMNACYP1A2CYP2C9MAPT
SCHEMBL11986168 0.84 MAPT (0.38) KMT2ALMNAMAPTPOLBTDP1
SCHEMBL11986102 0.84 POLB (0.52) KMT2AHSD17B10PARP10PRSS1ACR
SCHEMBL12242713 0.84 POLB (0.52) KMT2AHSD17B10PARP10PRSS1ACR
SCHEMBL13664629 0.83 MAOB (0.34) KMT2APRSS1ACRNPC1MAPT
SCHEMBL14088590 0.83 HTT (0.56) KMT2APRSS1ACRLMNANPC1
SCHEMBL16746159 0.83 KMT2A (0.40) KMT2AHSD17B10PARP10PRSS1ACR

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