SCHEMBL7545880

SCHEMBL7545880

COc1ccc(NC(=O)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(Cc3ccc(CCC(=O)O)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.55
▸ ANPEP P15144 1/20 0.53
▸ MMP1 P03956 5/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MMP3 P08254 4/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ LCK P06239 2/20 0.49

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
SCHEMBL7540570 0.92 ITGB1 (0.54) FPR2MMP3MMP2FOLH1ITGB1
SCHEMBL7546168 0.92 ITGB1 (0.54) FPR2MMP3MMP2FOLH1ITGB1
SCHEMBL7548271 0.91 FOLH1 (0.51) MMP3MMP2FOLH1ITGB1ITGA4
SCHEMBL7538809 0.88 MMP1 (0.47) FPR2ANPEPMMP1MMP3MMP2
SCHEMBL7545100 0.88 ITGB1 (0.51) FPR2MMP1MMP3MMP2HDAC3
SCHEMBL7545081 0.88 MMP1 (0.46) FPR2ANPEPMMP1MMP3MMP2
SCHEMBL7545087 0.88 MMP1 (0.46) FPR2ANPEPMMP1MMP3MMP2
SCHEMBL7546261 0.87 MEN1 (0.48) MMP3MMP2FOLH1KMT2AITGB1
SCHEMBL7544917 0.86 FPR2 (0.56) FPR2ANPEPMMP1KDM4EPOLB
SCHEMBL7538353 0.84 MMP3 (0.51) MMP1MMP3MMP2MMP9ITGB1

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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