SCHEMBL5701044

SCHEMBL5701044

CCCCNC(CC(=O)OC(=O)C(F)(F)F)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.59
ITGA4 P13612 17/20 0.59
ITGB7 P26010 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL7651596 0.92 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5701039 0.90 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700828 0.90 ITGB1 (0.63) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700884 0.89 ITGB1 (0.62) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7384109 0.88 ITGB1 (0.73) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7649364 0.86 ITGB1 (0.65) ITGB1ITGA4MEN1KMT2AP2RX7
SCHEMBL5701090 0.82 ITGB1 (0.55) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700824 0.82 ITGB1 (0.62) ITGB1ITGA4MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5701080 0.82 ITGB1 (0.69) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7647674 0.82 ITGB1 (0.56) ITGB1ITGA4ITGB7

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