SCHEMBL9723258

SCHEMBL9723258

CC(C(=O)O)C(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DHODH Q02127 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FABP4 P15090 1/20 0.44
GRM4 Q14833 2/20 0.42

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
SCHEMBL13883734 0.82 KMT2A (0.56) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL13879115 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL1751092 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL9416789 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL2124402 0.78 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL27003740 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL9416684 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL14546800 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL10681711 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL10334224 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAKMT2AMEN1

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-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed