SCHEMBL6202205

SCHEMBL6202205

COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCCC3C(=O)OC)n1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.74
MAPK13 O15264 19/20 0.74
MAPK12 P53778 19/20 0.74
MAPK11 Q15759 19/20 0.74

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
SCHEMBL6202199 0.89 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6202228 0.88 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6202225 0.88 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4850746 0.85 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4850749 0.85 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6202202 0.85 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6203111 0.81 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6203113 0.81 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4861369 0.80 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4861384 0.80 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed