SCHEMBL11274594

SCHEMBL11274594

CCOC(=O)C(CCc1ccccc1)NCC(=O)N1C(C(=O)O)CSC1c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.54
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ABCB11 O95342 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL10943437 1.00 ACE (0.54) ACELMNAMEN1KMT2AUSP2
SCHEMBL11281944 1.00 ACE (0.54) ACELMNAMEN1KMT2AUSP2
SCHEMBL11281946 1.00 ACE (0.54) ACELMNAMEN1KMT2AUSP2
SCHEMBL10940814 0.90 ACE (0.59) ACE
SCHEMBL11271666 0.90 ACE (0.59) ACE
SCHEMBL11271671 0.90 ACE (0.59) ACE
SCHEMBL11271681 0.90 ACE (0.59) ACE
SCHEMBL11382738 0.85 ACE (0.63) ACELMNAMEN1KMT2AUSP2
SCHEMBL11275565 0.81 ACE (0.52) ACELMNAMEN1KMT2A
SCHEMBL10943539 0.78 ACE (0.46) ACE

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-0059966-A1 Substituted thiazolidine carboxylic acid analogs and derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-15 — — EP claimed
EP-0059966-A1 Substituted thiazolidine carboxylic acid analogs and derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-15 — — EP disclosed
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