SCHEMBL7545919

SCHEMBL7545919

COc1ccc(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(C)cccc2C)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.49
ICAM1 P05362 4/20 0.49
ITGAL P20701 4/20 0.49
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.42
MMP9 P14780 1/20 0.42
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
NCOR2 Q9Y618 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL7538707 0.91 ITGB2 (0.48) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL7541018 0.91 KMT2A (0.45) ITGB2ICAM1ITGALKMT2ACA2
SCHEMBL7539088 0.91 ITGB2 (0.52) ITGB2ICAM1ITGALL3MBTL1HDAC3
SCHEMBL7539705 0.90 ITGB1 (0.49) ITGB2ICAM1ITGALKMT2ACA2
SCHEMBL7544967 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALL3MBTL1MMP9
SCHEMBL7546409 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALKMT2ACA2
SCHEMBL7563730 0.89 ITGB2 (0.61) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL7544812 0.88 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL7547460 0.88 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL7545203 0.86 ITGB2 (0.43) ITGB2ICAM1ITGALHDAC3HDAC1

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