SCHEMBL7544917

SCHEMBL7544917

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.56
▸ MMP1 P03956 8/20 0.51
▸ MMP3 P08254 4/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ FOLH1 Q04609 1/20 0.50
▸ ANPEP P15144 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ FFAR1 O14842 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL7538785 0.91 FOLH1 (0.54) FPR2MMP3MMP9MMP2FOLH1
SCHEMBL7541870 0.91 FOLH1 (0.54) FPR2MMP3MMP9MMP2FOLH1
SCHEMBL7546158 0.90 FOLH1 (0.53) FPR2MMP3MMP9MMP2FOLH1
SCHEMBL7547257 0.90 FOLH1 (0.55) MMP3MMP2FOLH1
SCHEMBL7547307 0.89 FOLH1 (0.52) FPR2MMP3MMP2FOLH1FFAR1
SCHEMBL7542336 0.88 MMP1 (0.45) FPR2MMP1MMP3MMP9MMP2
SCHEMBL7547051 0.87 MMP1 (0.45) FPR2MMP1MMP3MMP9MMP2
SCHEMBL7547049 0.87 MMP1 (0.45) FPR2MMP1MMP3MMP9MMP2
SCHEMBL7545880 0.86 FPR2 (0.55) FPR2MMP1MMP3MMP9MMP2
SCHEMBL7545943 0.85 FOLH1 (0.48) FPR2MMP1MMP3MMP2FOLH1

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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