SCHEMBL11064705

SCHEMBL11064705

CCC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.49
SORT1 Q99523 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ANO1 Q5XXA6 1/20 0.46
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.43
DDR1 Q08345 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FABP4 P15090 1/20 0.42
CACNA1H O95180 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.41

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
SCHEMBL2917793 0.87 HPGD (0.48) L3MBTL1ANO1RAB9AKMT2AMEN1
SCHEMBL28625908 0.86 GRN (0.49) GRNSORT1RAB9AKMT2AHPGD
SCHEMBL25781021 0.82 L3MBTL1 (0.61) L3MBTL1ANO1RAB9AKMT2AMEN1
SCHEMBL13475471 0.81 GRN (0.50) GRNSORT1RAB9ACACNA1HCYP2D6
SCHEMBL7530423 0.79 GRN (0.43) GRNSORT1RAB9ADDR1ALDH1A1
SCHEMBL21164502 0.78 ALDH1A1 (0.51) L3MBTL1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8156479 0.77 GRN (0.45) GRNSORT1RAB9ADDR1ALDH1A1
SCHEMBL18512788 0.77 L3MBTL1 (0.51) L3MBTL1ANO1KMT2AMEN1ALDH1A1
SCHEMBL8400220 0.76 GRN (0.47) GRNSORT1RAB9ADDR1FABP4
SCHEMBL8402006 0.76 GRN (0.47) GRNSORT1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444580-A N-Substituted N-(phosphonomethyl)aminoethanal derivatives as herbicides MONSANTO COMPANY (US) 1984-04-24 US disclosed
US-4405360-A Controlled release of herbicide compounds utilizing a thermoplastic matrix ENVIRONMENTAL CHEMICALS, INC. (US) 1983-09-20 US disclosed
US-4360375-A Phenoxyphenoxy unsaturated derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1982-11-23 US disclosed
US-4263040-A Phenoxyphenoxy unsaturated derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1981-04-21 US disclosed
US-4163661-A Phenoxyphenoxy crotonic acid derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1979-08-07 US disclosed