SCHEMBL7547273

SCHEMBL7547273

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(NC(=C[N+](=O)[O-])Nc2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.45
▸ ACE P12821 7/20 0.43
▸ MME P08473 6/20 0.43
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP2 P08253 1/20 0.39

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
SCHEMBL7547266 1.00 FOLH1 (0.45) FOLH1ACEMMEGAAMAPT
SCHEMBL7543503 0.94 MMP3 (0.45) FOLH1ACEMMECPA1ACE2
SCHEMBL7543498 0.94 MMP3 (0.45) FOLH1ACEMMECPA1ACE2
SCHEMBL7539811 0.93 FOLH1 (0.39) FOLH1ACEMMEMAPTCPA1
SCHEMBL7539815 0.93 FOLH1 (0.39) FOLH1ACEMMEMAPTCPA1
SCHEMBL7542518 0.93 MMP1 (0.39) FOLH1ACEMMEMAPTCPA1
SCHEMBL7543337 0.93 MAPT (0.40) FOLH1ACEMMEMAPTCPA1
SCHEMBL7542526 0.93 MMP1 (0.39) FOLH1ACEMMEMAPTCPA1
SCHEMBL7543339 0.93 MAPT (0.40) FOLH1ACEMMEMAPTCPA1
SCHEMBL7547049 0.91 MMP1 (0.45) MMP3MMP2

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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