SCHEMBL7565957

SCHEMBL7565957

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MMP1 P03956 3/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ FPR2 P25090 1/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ ITGB1 P05556 6/20 0.40
▸ ITGA4 P13612 6/20 0.40
▸ ALDH1A1 P00352 2/20 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
SCHEMBL7539262 1.00 ANPEP (0.50) ANPEPKDM4EPOLBMMP1HDAC3
SCHEMBL7545718 0.93 ITGB1 (0.45) MMP1MMP3ITGB1ITGA4MAPT
SCHEMBL7541296 0.93 ITGB1 (0.45) MMP1MMP3ITGB1ITGA4MAPT
SCHEMBL7541044 0.92 ITGB1 (0.42) ANPEPMMP1FPR2MMP3ITGB1
SCHEMBL7544936 0.92 ITGB1 (0.41) ANPEPFPR2ITGB1ITGA4MAPT
SCHEMBL7544863 0.92 ITGB1 (0.41) ANPEPFPR2ITGB1ITGA4MAPT
SCHEMBL7547298 0.92 ITGB1 (0.42) ANPEPMMP1FPR2MMP3ITGB1
SCHEMBL7540987 0.91 GRN (0.41) ANPEPFPR2ITGB1ITGA4ALDH1A1
SCHEMBL7541602 0.91 GRN (0.41) ANPEPFPR2ITGB1ITGA4ALDH1A1
SCHEMBL7543913 0.91 ANPEP (0.54) 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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