SCHEMBL94806

SCHEMBL94806

CC(C)(c1ccc(Oc2ccc(C(C)(C)c3ccc(O)c(C(=O)O)c3)cc2)cc1)c1ccc(O)c(OC=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
XDH P47989 1/20 0.39
ESRRA P11474 1/20 0.37
PTGS2 P35354 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TNF P01375 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 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
SCHEMBL173042 0.87 MEN1 (0.51) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL15268265 0.81 MCL1 (0.54) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL10464291 0.79 CSNK2A1 (0.55) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL9678021 0.79 KDM4E (0.46) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL9677356 0.78 MAPT (0.50) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL9244550 0.77 CSNK2A1 (0.57) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL12884711 0.77 POLB (0.45) KDM4EMEN1KMT2APOLBXDH
SCHEMBL95491 0.77 ESR1 (0.40) KDM4EHSD17B10KMT2APOLBMAPT
SCHEMBL9677329 0.77 MEN1 (0.49) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL9678008 0.75 ALDH1A1 (0.53) KDM4EHSD17B10MEN1KMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245263-A1 FLAME-RETARDANT AROMATIC POLYCARBONATE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2012-09-27 US disclosed
US-20120059098-A1 FLAME-RETARDANT AROMATIC POLYCARBONATE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2012-03-08 US disclosed
US-20120059099-A1 FLAME-RETARDANT AROMATIC POLYCARBONATE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2012-03-08 US disclosed