SCHEMBL7587960

SCHEMBL7587960

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)c3ccc(OC)c(OC)c3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.47
ITGB1 P05556 11/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7426813 0.94 ITGA4 (0.49) ITGA4ITGB1SMN1; SMN2CHEK1
SCHEMBL7417067 0.94 ITGA4 (0.48) ITGA4ITGB1SMN1; SMN2
SCHEMBL7388434 0.91 ITGA4 (0.51) ITGA4ITGB1SMN1; SMN2CHEK1KMT2A
SCHEMBL7386088 0.89 ITGA4 (0.49) ITGA4ITGB1CHEK1
SCHEMBL7386634 0.89 ITGA4 (0.49) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7427793 0.88 ITGA4 (0.59) ITGA4ITGB1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL7387974 0.88 ITGA4 (0.46) ITGA4ITGB1GAACHEK1MEN1
SCHEMBL7422611 0.88 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2P2RX7
SCHEMBL7475927 0.88 ITGA4 (0.48) ITGA4ITGB1CHEK1
SCHEMBL7649631 0.87 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1KMT2A

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