SCHEMBL27657658

SCHEMBL27657658

CCCCC(=O)NC(C)C(O)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.89
ALDH1A1 P00352 1/20 0.89
ACER2 Q5QJU3 1/20 0.89
NPSR1 Q6W5P4 2/20 0.57
UGCG Q16739 2/20 0.54
CERT1 Q9Y5P4 3/20 0.53
SMPD2 O60906 2/20 0.52
SMPD1 P17405 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL4234738 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL611869 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL8341673 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL8340882 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL13930314 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL360960 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL13930310 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL13930311 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL4239949 0.94 ASAH1 (1.00) ASAH1ALDH1A1ACER2NPSR1UGCG
SCHEMBL21051184 0.91 ALDH1A1 (0.78) ASAH1ALDH1A1ACER2NPSR1UGCG

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
CN-100582092-C Process for preparing diphenyl azetidinone derivatives AVENTIS PHARMA GMBH 2010-01-20 CN disclosed
CN-1956951-A Method for producing diphenyl azetidinone derivatives AVENTIS PHARMA GMBH (DE) 2007-05-02 CN disclosed