SCHEMBL5701066

SCHEMBL5701066

COC(=O)C[C@@H](NC(=O)c1cccs1)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.63
ITGA4 P13612 12/20 0.63
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.45
KLK7 P49862 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ITGB7 P26010 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL5701069 1.00 ITGB1 (0.63) ITGB1ITGA4KMT2AALDH1A1KDM4E
SCHEMBL5701051 0.94 ITGB1 (0.69) ITGB1ITGA4KMT2AALDH1A1KDM4E
SCHEMBL5700971 0.94 ITGB1 (0.69) ITGB1ITGA4KMT2AALDH1A1KDM4E
SCHEMBL5700821 0.88 ITGB1 (0.70) ITGB1ITGA4KMT2AMEN1ITGB7
SCHEMBL5700827 0.88 ITGB1 (0.70) ITGB1ITGA4KMT2AMEN1ITGB7
SCHEMBL5700900 0.88 ITGB1 (0.70) ITGB1ITGA4KMT2AALDH1A1MEN1
SCHEMBL5700904 0.88 ITGB1 (0.70) ITGB1ITGA4KMT2AALDH1A1MEN1
SCHEMBL5700909 0.86 ITGB1 (0.64) ITGB1ITGA4KMT2AALDH1A1KDM4E
SCHEMBL5700956 0.86 ITGB1 (0.64) ITGB1ITGA4KMT2AMEN1ITGB7
SCHEMBL5700962 0.86 ITGB1 (0.64) ITGB1ITGA4KMT2AMEN1ITGB7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed