SCHEMBL8098012

SCHEMBL8098012

CC(=O)OCCCCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.41
MAPK10 P53779 1/20 0.39
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL16573706 1.00 MAPK14 (0.41) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL14549160 0.92 POLB (0.38) MAPK14ALDH1A1HPGDNPSR1
SCHEMBL8102854 0.85 MAPK14 (0.47) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL8129355 0.76 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6771571 0.72 MAPK14 (0.47) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL7144420 0.71 MAPK14 (0.58) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL7144416 0.71 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL8106192 0.69 MAPK14 (0.56) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL8309777 0.69 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL8310271 0.69 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11NPSR1

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
EP-0994858-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-04-26 EP disclosed
US-6040320-A ANTIINFLAMMATORY AGENT FOR TREATING DISEASES ASSOCIATED WITH OVERPRODUCTION OF INFLAMMATORY CYTOKINES, SUCH AS RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, SEPTIC SHOCK, OSTEOPOROSIS, AND OSTEOARTHRITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-21 US disclosed
WO-1999003837-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-01-28 WO disclosed