SCHEMBL7542336

SCHEMBL7542336

COc1ccc(NC(=NC#N)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 9/20 0.45
▸ MMP3 P08254 5/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ 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
▸ FFAR1 O14842 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 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
SCHEMBL7541912 0.92 MME (0.48) MMP3MMP2MMP9MMEACE
SCHEMBL7538620 0.91 FOLH1 (0.45) MMP3MMEACECPA1ACE2
SCHEMBL7538668 0.91 MME (0.43) MMP3MMP2FFAR1KMT2AMME
SCHEMBL7547253 0.90 MME (0.42) MMP3MMP2FFAR1MMEACE
SCHEMBL7544917 0.88 FPR2 (0.56) MMP1MMP3MMP2MMP9FPR2
SCHEMBL7538809 0.88 MMP1 (0.47) MMP1MMP3MMP2MMP9FPR2
SCHEMBL7543615 0.87 ACE (0.40) MMP1MMP3MMP2FPR2MME
SCHEMBL7547051 0.82 MMP1 (0.45) MMP1MMP3MMP2MMP9FPR2
SCHEMBL7547049 0.82 MMP1 (0.45) MMP1MMP3MMP2MMP9FPR2
SCHEMBL7570635 0.81 MMP1 (0.41) MMP1MMP3MMP9FPR2HDAC3

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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