SCHEMBL11079370

SCHEMBL11079370

COc1cccc(NC(=O)C(C)Oc2ccc(Cl)c(C)c2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TSHR P16473 1/20 0.63
PKM P14618 2/20 0.54
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.48
MTNR1B P49286 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL11083168 0.89 PKM (0.52) ALDH1A1TSHRPKMMAPTSMN1; SMN2
SCHEMBL11070486 0.88 PKM (0.55) ALDH1A1TSHRPKMRAB9ALMNA
SCHEMBL11075845 0.87 PKM (0.57) ALDH1A1TSHRPKMMAPTKMT2A
SCHEMBL11078203 0.87 PKM (0.50) ALDH1A1TSHRPKMMAPTSMN1; SMN2
SCHEMBL11083776 0.86 PKM (0.49) ALDH1A1TSHRPKMMAPTSMN1; SMN2
SCHEMBL11080203 0.86 PKM (0.56) ALDH1A1TSHRPKMKMT2AMEN1
SCHEMBL11077543 0.86 PKM (0.71) ALDH1A1TSHRPKMKMT2AMEN1
SCHEMBL11074811 0.86 MEN1 (0.55) ALDH1A1TSHRMAPTRAB9AKMT2A
SCHEMBL11071173 0.85 MEN1 (0.60) ALDH1A1TSHRPKMMAPTSMN1; SMN2
SCHEMBL11076933 0.85 PKM (0.55) ALDH1A1TSHRPKMKMT2AMEN1

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