SCHEMBL7326454

SCHEMBL7326454

O=C(CCc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAAT5 Q96KN8 14/20 0.82
PLAAT4 Q9UL19 14/20 0.82
PLAAT3 P53816 13/20 0.82
PLAAT2 Q9NWW9 13/20 0.82
EPHX1 P07099 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL3056874 0.82 KMT2A (0.71) EPHX1SMN1; SMN2GAAALDH1A1
SCHEMBL30562867 0.81 HPGD (0.74) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL1661081 0.81 TRPV1 (0.76) GAATRPV1ALDH1A1
SCHEMBL23805174 0.80 PLAAT5 (0.56) PLAAT5PLAAT4PLAAT3PLAAT2GAA
SCHEMBL4279627 0.80 KEAP1 (0.73) PLAAT5PLAAT4SMN1; SMN2ALDH1A1
SCHEMBL20673342 0.79 SMN1; SMN2 (0.81) PLAAT5PLAAT4PLAAT3PLAAT2EPHX1
SCHEMBL20924992 0.79 GAA (0.61) PLAAT5PLAAT4PLAAT3PLAAT2GAA
SCHEMBL24276173 0.79 ALDH1A1 (0.59) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL19465026 0.79 PLAAT5 (0.66) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL9725982 0.78 PLAAT5 (0.73) PLAAT5PLAAT4PLAAT3PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed