SCHEMBL7545843

SCHEMBL7545843

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.43
▸ MMP1 P03956 5/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ MMP3 P08254 3/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ CTSS P25774 5/20 0.37
▸ CTSL P07711 4/20 0.37
▸ NTSR1 P30989 1/20 0.37

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
SCHEMBL7545840 1.00 ANPEP (0.43) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7543392 0.93 MMP2 (0.40) MMP1LMNAMMP3CTSLMMP2
SCHEMBL7543387 0.93 MMP2 (0.40) MMP1LMNAMMP3CTSLMMP2
SCHEMBL7541536 0.92 ANPEP (0.43) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7541538 0.92 ANPEP (0.43) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7539469 0.92 MMP2 (0.38) ANPEPMMP1LMNAMMP3CTSL
SCHEMBL7539472 0.92 MMP2 (0.38) ANPEPMMP1LMNAMMP3CTSL
SCHEMBL7540417 0.92 CTSL (0.37) MMP1MMP3CTSLMMP2MAPT
SCHEMBL7540421 0.92 CTSL (0.37) MMP1MMP3CTSLMMP2MAPT
SCHEMBL7542130 0.92 ANPEP (0.42) ANPEPMMP1HDAC3HDAC4HDAC1

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
Send feedback