SCHEMBL7544754

SCHEMBL7544754

COc1ccc(NC(=O)Nc2ccc(C(CC(C)C)C(=O)NC(Cc3ccccc3CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.49
▸ ANPEP P15144 1/20 0.48
▸ MMP1 P03956 8/20 0.45
▸ REN P00797 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ MMP3 P08254 3/20 0.40
▸ MMP9 P14780 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
SCHEMBL7546445 0.93 GAA (0.44) FPR2MMP1RENRAB9AMMP3
SCHEMBL7547224 0.91 SMN1; SMN2 (0.41) FPR2RENRAB9AMMP9MMP2
SCHEMBL7541819 0.91 ACE (0.41) FPR2MMP1RENRAB9AMMP9
SCHEMBL7544077 0.90 MAPK1 (0.42) FPR2MMP1RENRAB9AHDAC3
SCHEMBL7539503 0.90 FPR2 (0.56) FPR2ANPEPMMP1RAB9AHDAC3
SCHEMBL7570635 0.89 MMP1 (0.41) FPR2ANPEPMMP1RENHDAC3
SCHEMBL7539439 0.89 ANPEP (0.50) FPR2ANPEPMMP1MEN1RAB9A
SCHEMBL7546973 0.87 ANPEP (0.52) FPR2ANPEPMMP1RENRAB9A
SCHEMBL7546030 0.87 MEN1 (0.42) FPR2MMP1RENMEN1KMT2A
SCHEMBL7540684 0.86 GAA (0.42) MMP1RENRAB9AKMT2AMMP3

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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