SCHEMBL4624872

SCHEMBL4624872

COc1cccc(OC)c1-c1ccc2cc(CC(C)(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.51
ITGAV P06756 1/20 0.51
ITGA4 P13612 11/20 0.41
ITGB7 P26010 8/20 0.37
FABP4 P15090 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
GHSR Q92847 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL3319930 0.91 ITGB1 (0.61) ITGB1ITGAVITGA4ITGB7LMNA
SCHEMBL4625005 0.86 ITGB1 (0.40) ITGB1ITGAVITGA4ITGB7MAPT
SCHEMBL1028112 0.85 ITGB1 (0.55) ITGB1ITGAVITGA4ITGB7LMNA
SCHEMBL4624059 0.85 ITGA4 (0.50) ITGB1ITGA4ITGB7FABP4LMNA
SCHEMBL1030228 0.81 ITGB1 (0.49) ITGB1ITGAVLMNAHPGDMAPT
SCHEMBL3313216 0.81 ITGB1 (0.50) ITGB1ITGAVITGA4ITGB7LMNA
SCHEMBL6142440 0.80 ITGB1 (0.42) ITGB1ITGAVITGA4ITGB7LMNA
SCHEMBL4625490 0.80 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7HPGD
SCHEMBL3318793 0.79 ITGB1 (0.81) ITGB1ITGAVITGA4ITGB7
SCHEMBL3314866 0.79 ITGB1 (0.81) ITGB1ITGAVITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 EP disclosed