SCHEMBL7541912

SCHEMBL7541912

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(NC(=NC#N)Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.48
▸ ACE P12821 8/20 0.48
▸ CPA1 P15085 7/20 0.48
▸ ACE2 Q9BYF1 7/20 0.48
▸ MMP3 P08254 4/20 0.46
▸ MMP2 P08253 3/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ FOLH1 Q04609 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL7538620 0.94 FOLH1 (0.45) MMEACECPA1ACE2MMP3
SCHEMBL7538668 0.94 MME (0.43) MMEACECPA1ACE2MMP3
SCHEMBL7547253 0.93 MME (0.42) MMEACECPA1ACE2MMP3
SCHEMBL7542336 0.92 MMP1 (0.45) MMEACECPA1ACE2MMP3
SCHEMBL7543615 0.90 ACE (0.40) MMEACECPA1ACE2MMP3
SCHEMBL7538785 0.87 FOLH1 (0.54) MMEACECPA1ACE2MMP3
SCHEMBL7541870 0.87 FOLH1 (0.54) MMEACECPA1ACE2MMP3
SCHEMBL7539261 0.86 MMP3 (0.47) MMEACECPA1ACE2MMP3
SCHEMBL7540008 0.86 MMP3 (0.50) MMEACECPA1ACE2MMP3
SCHEMBL7547257 0.81 FOLH1 (0.55) MMEACECPA1ACE2MMP3

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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