SCHEMBL9979440

SCHEMBL9979440

O=C(CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
HPGD P15428 1/20 0.57
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
ATM Q13315 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
FPR2 P25090 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL9979427 0.88 EPHX2 (0.59) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL2092934 0.83 EPHX2 (0.69) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL27985508 0.81 EPHX2 (0.67) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL9978775 0.80 HTT (0.63) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL2092931 0.80 EPHX2 (0.69) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL8286979 0.78 EPHX2 (0.67) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL31499794 0.78 EPHX2 (0.67) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL1945608 0.78 EPHX2 (0.67) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL14990844 0.78 EPHX2 (0.67) EPHX2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL2056317 0.78 EPHX2 (0.67) EPHX2HPGDALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed