SCHEMBL22115354

SCHEMBL22115354

BC(=O)C(Cc1ccc(O)cc1)NC(=O)CCS

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.47
▸ GRIA1 P42261 4/20 0.46
▸ MME P08473 2/20 0.45
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ CHRND Q07001 5/20 0.44
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL8522310 0.87 ACE (0.61) ACEMMENAALAD2
SCHEMBL23835704 0.83 MMP1 (0.52) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6859595 0.77 CHRND (0.48) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL9068704 0.74 ACE (0.62) ACEMMENAALAD2NPSR1
SCHEMBL4147877 0.73 NAALAD2 (0.61) ACEGRIA1MMENAALAD2
SCHEMBL4147882 0.73 NAALAD2 (0.61) ACEGRIA1MMENAALAD2
SCHEMBL29726740 0.73 NAALAD2 (0.69) ACEMMENAALAD2
SCHEMBL11277926 0.72 CA2 (0.55) ACEMME
SCHEMBL18768260 0.72 CTSG (0.42) ACEGRIA1CHRNDCHRNA1CHRNG
SCHEMBL4582092 0.72 CHRND (0.60) ACEGRIA1MMENAALAD2CHRND

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
EP-3666258-A1 METHOD OF TREATING PRADER-WILLI SYNDROME Ferring BV (NL) 2020-06-17 — — EP disclosed
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