SCHEMBL11077684

SCHEMBL11077684

Cc1ccc(N(CC(=O)O)CC(=O)O)cc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PLA2G2A P14555 1/20 0.39
BLM P54132 1/20 0.39
KEAP1 Q14145 7/20 0.38
NFE2L2 Q16236 7/20 0.38

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
SCHEMBL340740 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1PLA2G2ABLMKEAP1
SCHEMBL1027697 0.81 MEN1 (0.46) SMN1; SMN2TDP1ALDH1A1
SCHEMBL1027197 0.81 TDP1 (0.39) SMN1; SMN2TDP1ALDH1A1KEAP1NFE2L2
SCHEMBL1026486 0.79 ALDH1A1 (0.47) SMN1; SMN2TDP1ALDH1A1
SCHEMBL1025222 0.78 ALDH1A1 (0.46) SMN1; SMN2TDP1ALDH1A1PLA2G2A
SCHEMBL21570286 0.77 S1PR1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL1026193 0.77 FFAR1 (0.46) SMN1; SMN2TDP1ALDH1A1KEAP1NFE2L2
SCHEMBL8038936 0.76 TDP1 (0.44) SMN1; SMN2TDP1ALDH1A1PLA2G2ABLM
SCHEMBL1028025 0.76 TDP1 (0.56) TDP1ALDH1A1KEAP1NFE2L2
SCHEMBL9974573 0.75 KEAP1 (0.56) SMN1; SMN2ALDH1A1KEAP1NFE2L2

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-4481131-A Electroconductive resin composition MITSUI TOATSU CHEMICALS, INC. (JP) 1984-11-06 US disclosed
EP-0058916-A1 Electroconductive polyolefin resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-09-01 EP disclosed