SCHEMBL9559062

SCHEMBL9559062

CCCc1c(OCCCCCCCCc2ccc3cc(O)c(O)cc3c2)ccc(C(=O)O)c1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.54
CYSLTR2 Q9NS75 9/20 0.54
CYSLTR1 Q9Y271 9/20 0.54
PPARA Q07869 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
PPARG P37231 1/20 0.49
BLM P54132 1/20 0.49
PPARD Q03181 1/20 0.49

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
SCHEMBL9558394 1.00 GRM2 (0.54) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9557971 1.00 GRM2 (0.54) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558318 1.00 GRM2 (0.54) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558399 1.00 GRM2 (0.54) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558325 0.99 GRM2 (0.55) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558398 0.96 CYSLTR2 (0.56) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558388 0.93 CYSLTR1 (0.54) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9559041 0.92 PPARG (0.53) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558589 0.92 PPARG (0.53) GRM2CYSLTR2CYSLTR1PPARALMNA
SCHEMBL9558625 0.91 GRM2 (0.53) GRM2CYSLTR2CYSLTR1PPARALMNA

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-0384350-B1 DIHYDROXY NAPHTHALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
EP-0384350-A1 Dihydroxy naphthalene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP disclosed
US-4937371-A INHIBITING LIPOXYGENASE HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed