SCHEMBL7538694

SCHEMBL7538694

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.59
▸ MME P08473 7/20 0.56
▸ ACE P12821 11/20 0.55
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ CPA1 P15085 2/20 0.52
▸ ACE2 Q9BYF1 2/20 0.52

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
SCHEMBL7547257 0.93 FOLH1 (0.55) FOLH1MMEACENAALAD2CPA1
SCHEMBL7538620 0.86 FOLH1 (0.45) FOLH1MMEACENAALAD2CPA1
SCHEMBL7547273 0.86 FOLH1 (0.45) FOLH1MMEACENAALAD2CPA1
SCHEMBL7547266 0.86 FOLH1 (0.45) FOLH1MMEACENAALAD2CPA1
SCHEMBL7538785 0.85 FOLH1 (0.54) FOLH1MMEACECPA1ACE2
SCHEMBL7541870 0.85 FOLH1 (0.54) FOLH1MMEACECPA1ACE2
SCHEMBL7546158 0.84 FOLH1 (0.53) FOLH1MMEACECPA1ACE2
SCHEMBL7540008 0.84 MMP3 (0.50) FOLH1MMEACECPA1ACE2
SCHEMBL7547307 0.84 FOLH1 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL7541769 0.82 HDAC1 (0.51) MMEACECPA1ACE2

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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