SCHEMBL7542688

SCHEMBL7542688

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.46
▸ NPY1R P25929 2/20 0.43
▸ NPY2R P49146 2/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ IL1RN P18510 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ACE P12821 6/20 0.42
▸ MME P08473 2/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ ACE2 Q9BYF1 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ MMP3 P08254 2/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 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
SCHEMBL7539261 0.94 MMP3 (0.47) ACEMMECPA1ACE2CTSL
SCHEMBL7540859 0.93 KMT2A (0.44) FOLH1ACEMMECPA1ACE2
SCHEMBL7538809 0.92 MMP1 (0.47) CTSLMMP3MMP2MMP9MMP8
SCHEMBL7538620 0.87 FOLH1 (0.45) FOLH1NPY1RNPY2RNPY4RACE
SCHEMBL7540085 0.83 CTSL (0.42) FOLH1NPY1RNPY2RNPY4RIL1RN
SCHEMBL7540855 0.82 CTSL (0.40) FOLH1NPY1RNPY2RNPY4RACE
SCHEMBL7544736 0.82 NPY4R (0.42) FOLH1NPY1RNPY2RNPY4RIL1RN
SCHEMBL7546168 0.82 ITGB1 (0.54) FOLH1ACEMMECPA1ACE2
SCHEMBL7540570 0.82 ITGB1 (0.54) FOLH1ACEMMECPA1ACE2
SCHEMBL7538222 0.82 CTSL (0.39) FOLH1NPY1RNPY2RNPY4RACE

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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