Sugi Predict

Sugi Predict / Compounds / SCHEMBL13635316

SCHEMBL13635316

SCHEMBL13635316

Cc1c(OCc2ccc(F)cc2F)cc(C)n(-c2cc(C(=O)O)ccc2F)c1=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.67
▸ PTGER1 P34995 4/20 0.64
▸ ROCK2 O75116 1/20 0.58
▸ MAPK12 P53778 1/20 0.58
▸ MAPK11 Q15759 1/20 0.58
▸ STRADA Q7RTN6 1/20 0.58

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
SCHEMBL4385005 0.91 PTGER1 (0.68) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL29593469 0.91 PTGER1 (0.68) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL29593304 0.90 MAPK14 (0.81) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL4378487 0.90 MAPK14 (0.81) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL4376580 0.84 MAPK14 (0.68) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL4380858 0.84 MAPK14 (0.73) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL2708583 0.83 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593336 0.82 MAPK14 (0.71) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL4386893 0.82 MAPK14 (0.71) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL4376585 0.82 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA

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-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 — — EP disclosed