SCHEMBL7547051

SCHEMBL7547051

COc1ccc(NC(=C[N+](=O)[O-])Nc2ccc(C(CC(C)C)C(=O)NC(Cc3ccc(CCC(=O)O)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 10/20 0.45
▸ MMP3 P08254 5/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ FPR2 P25090 1/20 0.44
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADAM17 P78536 1/20 0.40
▸ MMP7 P09237 1/20 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
SCHEMBL7547049 1.00 MMP1 (0.45) MMP1MMP3MMP2MMP9FPR2
SCHEMBL7543498 0.92 MMP3 (0.45) MMP3MMP2MMP9MMP7MMP13
SCHEMBL7543503 0.92 MMP3 (0.45) MMP3MMP2MMP9MMP7MMP13
SCHEMBL7539811 0.91 FOLH1 (0.39) MMP3MMP2MMP9FFAR1KMT2A
SCHEMBL7547273 0.91 FOLH1 (0.45) MMP3MMP2
SCHEMBL7547266 0.91 FOLH1 (0.45) MMP3MMP2
SCHEMBL7539815 0.91 FOLH1 (0.39) MMP3MMP2MMP9FFAR1KMT2A
SCHEMBL7543339 0.90 MAPT (0.40) MMP3MMP2FFAR1KMT2A
SCHEMBL7542518 0.90 MMP1 (0.39) MMP1MMP3MMP2
SCHEMBL7542526 0.90 MMP1 (0.39) MMP1MMP3MMP2

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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