SCHEMBL7547253

SCHEMBL7547253

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ CPA1 P15085 2/20 0.42
▸ ACE2 Q9BYF1 2/20 0.42
▸ FOLH1 Q04609 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADCY6 O43306 1/20 0.38
▸ ADCY3 O60266 1/20 0.38
▸ ADCY9 O60503 1/20 0.38
▸ ADCY5 O95622 1/20 0.38
▸ ADCY8 P40145 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ ADCY7 P51828 1/20 0.38
▸ ADCY2 Q08462 1/20 0.38

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 0.93 MME (0.48) MMEACECPA1ACE2FOLH1
SCHEMBL7538668 0.92 MME (0.43) MMEACECPA1ACE2FOLH1
SCHEMBL7538620 0.92 FOLH1 (0.45) MMEACECPA1ACE2FOLH1
SCHEMBL7542336 0.90 MMP1 (0.45) MMEACECPA1ACE2MMP3
SCHEMBL7543615 0.89 ACE (0.40) MMEACECPA1ACE2FOLH1
SCHEMBL7547307 0.88 FOLH1 (0.52) MMEACECPA1ACE2FOLH1
SCHEMBL7540859 0.87 KMT2A (0.44) MMEACECPA1ACE2FOLH1
SCHEMBL7543339 0.81 MAPT (0.40) MMEACECPA1ACE2FOLH1
SCHEMBL7543337 0.81 MAPT (0.40) MMEACECPA1ACE2FOLH1
SCHEMBL7541870 0.80 FOLH1 (0.54) MMEACECPA1ACE2FOLH1

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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