SCHEMBL7539004

SCHEMBL7539004

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc(O)cc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.46
▸ ITGB1 P05556 8/20 0.45
▸ ITGA4 P13612 8/20 0.45
▸ ACE P12821 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ REN P00797 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ IL1RN P18510 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41

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
SCHEMBL7544830 0.96 MMP3 (0.47) ITGB1ITGA4MMP2MMP3REN
SCHEMBL7542034 0.93 ITGB1 (0.47) ITGB1ITGA4MMP2MMP3REN
SCHEMBL7540009 0.92 ITGB1 (0.45) ITGB1ITGA4MMP2MMP3REN
SCHEMBL7546973 0.92 ANPEP (0.52) ITGB1ITGA4MMP3RENMMP1
SCHEMBL7541665 0.89 MEN1 (0.46) ITGB1ITGA4MMP2MMP3REN
SCHEMBL7540085 0.89 CTSL (0.42) FOLH1ACEOPRM1OPRD1MMP2
SCHEMBL7547312 0.89 MMP3 (0.44) ITGB1ITGA4MMP2MMP3REN
SCHEMBL7547334 0.89 NPY4R (0.45) FOLH1ITGB1ITGA4NPY1RNPY2R
SCHEMBL7540592 0.88 ACE (0.39) FOLH1ITGB1ITGA4ACEOPRM1
SCHEMBL7540598 0.88 ACE (0.39) FOLH1ITGB1ITGA4ACEOPRM1

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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