SCHEMBL7425997

SCHEMBL7425997

COc1cc(CC(=O)Nc2ccc(C(CC(=O)OC(C)(C)C)NC(=O)c3cccnc3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.57
ITGA4 P13612 12/20 0.57
ITGB7 P26010 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
USP30 Q70CQ3 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL5700873 0.94 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700866 0.94 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700782 0.92 ITGB1 (0.65) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700770 0.91 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700783 0.91 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701090 0.90 ITGB1 (0.55) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7647341 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5701088 0.89 ITGB1 (0.62) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700946 0.87 ITGB1 (0.65) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700827 0.86 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A

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