SCHEMBL7540859

SCHEMBL7540859

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ CTSL P07711 2/20 0.40
▸ PSMB11 A5LHX3 3/20 0.40
▸ PSMA7 O14818 3/20 0.40
▸ PSMB1 P20618 3/20 0.40
▸ PSMA1 P25786 3/20 0.40
▸ PSMA2 P25787 3/20 0.40
▸ PSMA3 P25788 3/20 0.40
▸ PSMA4 P25789 3/20 0.40
▸ PSMB8 P28062 3/20 0.40
▸ PSMB9 P28065 3/20 0.40
▸ PSMA5 P28066 3/20 0.40
▸ PSMB4 P28070 3/20 0.40
▸ PSMB6 P28072 3/20 0.40
▸ PSMB5 P28074 3/20 0.40
▸ PSMB10 P40306 3/20 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
SCHEMBL7539261 0.94 MMP3 (0.47) MMEACECPA1ACE2CTSL
SCHEMBL7542688 0.93 FOLH1 (0.46) MMEACECPA1ACE2CTSL
SCHEMBL7538809 0.91 MMP1 (0.47) CTSLPSMB11PSMA7PSMB1PSMA1
SCHEMBL7547253 0.87 MME (0.42) MMEACECPA1ACE2MMP3
SCHEMBL7543417 0.84 CTSL (0.41) KMT2AMMEACECPA1ACE2
SCHEMBL7538662 0.83 GRN (0.40) KMT2ACTSLPSMB11PSMA7PSMB1
SCHEMBL7541917 0.82 GRN (0.39) KMT2ACTSLPSMB11PSMA7PSMB1
SCHEMBL7539424 0.82 KMT2A (0.44) KMT2ACTSLPSMB11PSMA7PSMB1
SCHEMBL7539428 0.82 KMT2A (0.44) KMT2ACTSLPSMB11PSMA7PSMB1
SCHEMBL7546168 0.81 ITGB1 (0.54) 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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