SCHEMBL16709702

SCHEMBL16709702

C=CC(=O)OC(C)c1ccc(Sc2ccc3ccccc3c2)cc1Sc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
JAK1 P23458 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL16709742 0.90 ALDH1A1 (0.37) KDM4EMAPTKMT2ATP53SMN1; SMN2
SCHEMBL16709784 0.88 EPHX1 (0.39) EPHX1KDM4EMAPTPKMMAPK1
SCHEMBL16709714 0.85 KDM4E (0.34) KDM4EMAPTALDH1A1LMNANPSR1
SCHEMBL16709775 0.84 HCAR2 (0.43) EPHX1KDM4EMAPTPKMMAPK1
SCHEMBL4642108 0.76 EPHX1 (0.52) EPHX1KDM4EMAPTPKMMAPK1
SCHEMBL5267799 0.75 UGT2B7 (0.49) KDM4EMAPTPKMMAPK1KMT2A
SCHEMBL16709713 0.75 HCAR2 (0.38) KDM4EMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL23722516 0.75 ANPEP (0.44) EPHX1KDM4EMAPTPKMMAPK1
SCHEMBL16709710 0.73 THRB (0.39) EPHX1KDM4EMAPTPKMMAPK1
SCHEMBL16709782 0.73 THRB (0.39) EPHX1KDM4EMAPTPKMMAPK1

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
WO-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed