SCHEMBL11077543

SCHEMBL11077543

Cc1c(Cl)ccc(OC(C)C(=O)Nc2cccc(O)c2)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.71
TRPV1 Q8NER1 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 3/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD11B1 P28845 1/20 0.46
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL11075845 0.89 PKM (0.57) PKMALDH1A1KDM4EGAALMNA
SCHEMBL11080203 0.88 PKM (0.56) PKMALDH1A1KDM4EGAALMNA
SCHEMBL11071173 0.87 MEN1 (0.60) PKMALDH1A1KDM4EGAALMNA
SCHEMBL11070486 0.87 PKM (0.55) PKMALDH1A1KDM4EGAALMNA
SCHEMBL11076933 0.87 PKM (0.55) PKMALDH1A1KDM4EGAALMNA
SCHEMBL5482698 0.87 KDM4E (0.52) PKMALDH1A1KDM4EGAALMNA
SCHEMBL55118 0.87 KDM4E (0.52) PKMALDH1A1KDM4EGAALMNA
SCHEMBL7654105 0.87 KDM4E (0.52) PKMALDH1A1KDM4EGAALMNA
SCHEMBL3062871 0.87 KDM4E (0.52) PKMALDH1A1KDM4EGAALMNA
SCHEMBL11079370 0.86 ALDH1A1 (0.63) PKMALDH1A1KDM4EGAALMNA

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed