SCHEMBL7538620

SCHEMBL7538620

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.45
▸ ACE P12821 8/20 0.44
▸ MME P08473 6/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ NPY4R P50391 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
SCHEMBL7541912 0.94 MME (0.48) FOLH1ACEMMECPA1ACE2
SCHEMBL7538668 0.93 MME (0.43) FOLH1ACEMMECPA1ACE2
SCHEMBL7547253 0.92 MME (0.42) FOLH1ACEMMECPA1ACE2
SCHEMBL7542336 0.91 MMP1 (0.45) ACEMMECPA1ACE2MMP3
SCHEMBL7543615 0.90 ACE (0.40) FOLH1ACEMMECPA1ACE2
SCHEMBL7547257 0.88 FOLH1 (0.55) FOLH1ACEMMECPA1ACE2
SCHEMBL7542688 0.87 FOLH1 (0.46) FOLH1ACEMMECPA1ACE2
SCHEMBL7538694 0.86 FOLH1 (0.59) FOLH1ACEMMECPA1ACE2
SCHEMBL7541870 0.81 FOLH1 (0.54) FOLH1ACEMMECPA1ACE2
SCHEMBL7538785 0.81 FOLH1 (0.54) FOLH1ACEMMECPA1ACE2

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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