SCHEMBL8974540

SCHEMBL8974540

COc1ccc(CCNC(=O)C(O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ALDH1A1 P00352 2/20 0.65
CNR1 P21554 1/20 0.64
CTSD P07339 4/20 0.61
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TP53 P04637 1/20 0.55
THRB P10828 1/20 0.55
MAPT P10636 2/20 0.53

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
SCHEMBL4369692 0.91 GAA (0.55) GAAALDH1A1CNR1CTSDCA1
SCHEMBL4364582 0.91 GAA (0.55) GAAALDH1A1CNR1CTSDCA1
SCHEMBL4359697 0.91 GAA (0.55) GAAALDH1A1CNR1CTSDCA1
SCHEMBL31609211 0.89 GAA (0.53) GAAALDH1A1CNR1CTSDLMNA
SCHEMBL31609209 0.89 GAA (0.53) GAAALDH1A1CNR1CTSDLMNA
SCHEMBL5889715 0.89 GAA (0.53) GAAALDH1A1CNR1CTSDLMNA
SCHEMBL31609210 0.89 GAA (0.53) GAAALDH1A1CNR1CTSDLMNA
SCHEMBL8974937 0.88 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2ACA12
SCHEMBL8098635 0.88 ALDH1A1 (0.62) GAAALDH1A1CTSDSMN1; SMN2MEN1
SCHEMBL11888467 0.87 GAA (0.65) GAAALDH1A1CNR1CTSDLMNA

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
EP-0703899-A1 ARYLACETAMIDES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-04-03 EP disclosed
WO-1994029267-A1 ARYLACETAMIDES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1994-12-22 WO disclosed