SCHEMBL7538899

SCHEMBL7538899

COc1ccc(NC(=O)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(CSSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ACE P12821 1/20 0.44
▸ MMP1 P03956 4/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ ITGB1 P05556 2/20 0.43
▸ ITGA4 P13612 2/20 0.43
▸ FPR2 P25090 2/20 0.43
▸ MAPT P10636 2/20 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
SCHEMBL7538562 0.93 ANPEP (0.49) ANPEPKDM4EPOLBACEMMP1
SCHEMBL7545838 0.93 ANPEP (0.49) ANPEPKDM4EPOLBACEMMP1
SCHEMBL7542175 0.92 ITGB1 (0.49) MMP1ITGB1ITGA4FPR2MAPT
SCHEMBL7542806 0.91 ITGB1 (0.44) ANPEPITGB1ITGA4FPR2MAPT
SCHEMBL7545785 0.91 ITGB1 (0.46) ANPEPACEITGB1ITGA4FPR2
SCHEMBL7545926 0.90 ITGB1 (0.44) ANPEPACEITGB1ITGA4FPR2
SCHEMBL7543913 0.90 ANPEP (0.54) ANPEPKDM4EPOLBMMP1HDAC3
SCHEMBL7545877 0.90 ANPEP (0.53) ANPEPKDM4EPOLBMMP1HDAC3
SCHEMBL7545874 0.90 ANPEP (0.53) ANPEPKDM4EPOLBMMP1HDAC3
SCHEMBL7546480 0.90 ANPEP (0.53) ANPEPKDM4EPOLBMMP1HDAC3

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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