SCHEMBL7547249

SCHEMBL7547249

COc1ccc(NC(=NC#N)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 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.44
▸ MMP1 P03956 5/20 0.41
▸ 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
▸ CTSL P07711 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL7547048 0.93 CTSL (0.44) MMP1CTSLHPGDMMP3MAPT
SCHEMBL7541663 0.92 ANPEP (0.44) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7540855 0.92 CTSL (0.40) MMP1CTSLCTSKMMP3P2RX7
SCHEMBL7545083 0.92 P2RX7 (0.40) ANPEPMMP1CTSLCTSKALDH1A1
SCHEMBL7545704 0.90 HDAC3 (0.46) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7541424 0.90 MMP1 (0.42) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7546480 0.90 ANPEP (0.53) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7541924 0.89 ANPEP (0.41) ANPEPMMP1HDAC3HDAC4HDAC1
SCHEMBL7540704 0.89 CTSL (0.39) MMP1CTSLALDH1A1KDM4EMEN1
SCHEMBL7540003 0.85 CTSL (0.44) MMP1CTSLCTSKHPGDMMP3

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