SCHEMBL9579643

SCHEMBL9579643

CCCc1c(OCCCCCc2c(Cl)c(Cl)cc(OC)c2OC)ccc(C(=O)OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.46
CYSLTR1 Q9Y271 9/20 0.46
ALOX5 P09917 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
GRM2 Q14416 1/20 0.43

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
SCHEMBL9510512 0.91 CYSLTR2 (0.49) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9579660 0.89 CYSLTR2 (0.48) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9579691 0.87 CYSLTR2 (0.48) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9579697 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9508043 0.81 CYSLTR2 (0.52) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9579712 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9507999 0.79 CYSLTR2 (0.52) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9579693 0.77 CYSLTR2 (0.50) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9506812 0.77 CYSLTR2 (0.59) CYSLTR2CYSLTR1ALOX5MEN1LMNA
SCHEMBL9508078 0.77 GRM2 (0.52) CYSLTR2CYSLTR1ALOX5MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed