SCHEMBL7425925

SCHEMBL7425925

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)c3cccs3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.59
ITGA4 P13612 11/20 0.59
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
KLK7 P49862 2/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL7382674 0.90 ITGB1 (0.64) ITGB1ITGA4KMT2AMEN1
SCHEMBL7389797 0.90 ITGB1 (0.55) ITGB1ITGA4KMT2AKDM4EALDH1A1
SCHEMBL5701051 0.89 ITGB1 (0.69) ITGB1ITGA4KMT2AKDM4EALDH1A1
SCHEMBL5700971 0.89 ITGB1 (0.69) ITGB1ITGA4KMT2AKDM4EALDH1A1
SCHEMBL7426550 0.89 ITGA4 (0.64) ITGB1ITGA4KMT2AMEN1
SCHEMBL7423658 0.88 ITGB1 (0.65) ITGB1ITGA4KMT2AMEN1
SCHEMBL7384591 0.88 ITGA4 (0.61) ITGB1ITGA4KMT2AMEN1
SCHEMBL7583142 0.87 ITGA4 (0.60) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL7383435 0.87 ITGA4 (0.46) ITGB1ITGA4ALDH1A1MAPTGAA
SCHEMBL7651159 0.87 ITGB1 (0.64) ITGB1ITGA4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed