SCHEMBL7538809

SCHEMBL7538809

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.47
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 0.45
▸ LCK P06239 2/20 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
▸ CTSL P07711 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44

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
SCHEMBL7539261 0.93 MMP3 (0.47) MMP1MMP3MMP2MMP9CTSL
SCHEMBL7542688 0.92 FOLH1 (0.46) MMP3MMP2MMP9CTSLMMP8
SCHEMBL7540859 0.91 KMT2A (0.44) MMP3MMP2CTSLCTSSPSMB11
SCHEMBL7545880 0.88 FPR2 (0.55) MMP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7542336 0.88 MMP1 (0.45) MMP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7545704 0.84 HDAC3 (0.46) MMP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7541663 0.83 ANPEP (0.44) MMP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7547249 0.83 ANPEP (0.44) MMP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7545081 0.82 MMP1 (0.46) MMP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7545087 0.82 MMP1 (0.46) MMP1HDAC3HDAC4HDAC1HDAC7

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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