SCHEMBL10344119

SCHEMBL10344119

CCCc1c(OCCCCC2(CC)CC(=O)c3ccc(OCCCC(=O)O)cc3O2)ccc(C(C)=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.59
CYSLTR1 Q9Y271 16/20 0.59
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
PPARG P37231 1/20 0.51
BLM P54132 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
GRM2 Q14416 1/20 0.51
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL10344117 0.93 CYSLTR2 (0.58) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10344545 0.92 CYSLTR1 (0.49) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10732480 0.90 CYSLTR2 (0.60) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10344122 0.88 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10344173 0.83 CYSLTR1 (0.63) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10689874 0.82 CYSLTR1 (0.49) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10695547 0.80 CYSLTR2 (0.47) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10344123 0.80 CYSLTR2 (0.58) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10344392 0.79 PPARG (0.60) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10344547 0.79 PPARG (0.60) CYSLTR2CYSLTR1LMNACYP1A2MAPT

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
EP-0261254-B1 3,4-DIHYDRO-4-OXO-2H-1-BENZOPYRANYLOXY ALKANOIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1990-02-07 EP disclosed
EP-0261254-A1 3,4-Dihydro-4-oxo-2H-1-benzopyranyloxy alkanoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-30 EP disclosed