SCHEMBL9558388

SCHEMBL9558388

CCCc1c(OCCc2ccc3cc(O)c(O)cc3c2)ccc(C(=O)O)c1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.54
CYSLTR2 Q9NS75 7/20 0.54
GRM2 Q14416 2/20 0.52
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
PPARA Q07869 1/20 0.49
PDE5A O76074 2/20 0.48

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
SCHEMBL9558398 0.94 CYSLTR2 (0.56) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9558325 0.94 GRM2 (0.55) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9557971 0.93 GRM2 (0.54) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9558318 0.93 GRM2 (0.54) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9558399 0.93 GRM2 (0.54) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9559062 0.93 GRM2 (0.54) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9558394 0.93 GRM2 (0.54) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9559074 0.91 CYSLTR2 (0.52) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9558594 0.86 CYSLTR2 (0.54) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9558625 0.85 GRM2 (0.53) CYSLTR1CYSLTR2GRM2LMNACYP1A2

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 6 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 claimed
EP-0384350-A1 Dihydroxy naphthalene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP claimed
US-4937371-A INHIBITING LIPOXYGENASE HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US claimed
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