SCHEMBL31043498

SCHEMBL31043498

CCCCCCC(=O)NC(C(=O)O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.66
ALDH1A1 P00352 1/20 0.66
ACER2 Q5QJU3 1/20 0.66
CERT1 Q9Y5P4 3/20 0.60
SMPD2 O60906 2/20 0.55
SMPD1 P17405 1/20 0.55
UGCG Q16739 1/20 0.54
EPHX2 P34913 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FAAH O00519 3/20 0.52
MAPK1 P28482 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
SCHEMBL14842114 1.00 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL4786264 1.00 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL13963519 1.00 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL31043501 1.00 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL14842112 1.00 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL31043494 0.98 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL31043495 0.98 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL2380998 0.90 ASAH1 (0.60) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL10832852 0.88 ASAH1 (0.62) ASAH1ALDH1A1ACER2CERT1SMPD2
SCHEMBL11398876 0.87 ALDH1A1 (0.52) ASAH1ALDH1A1ACER2NPSR1MEN1

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
CN-118488855-A Solid composition comprising peptide or protein and acylated amino acid 阿道恰公司 2024-08-13 CN disclosed