SCHEMBL10685489

SCHEMBL10685489

CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1OCCCOc1c(C(C)=O)ccc(OCC(=O)O)c1C

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.72
CYSLTR1 Q9Y271 17/20 0.72
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
NFKB1 P19838 1/20 0.59
PPARG P37231 1/20 0.59
BLM P54132 1/20 0.59
PPARD Q03181 1/20 0.59
PPARA Q07869 1/20 0.59
LTB4R Q15722 1/20 0.52
PDE5A O76074 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
SCHEMBL10689737 0.87 CYSLTR2 (0.80) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10688095 0.85 CYSLTR2 (0.86) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10691051 0.85 CYSLTR2 (0.77) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10690672 0.85 CYSLTR2 (0.77) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10685512 0.85 CYSLTR2 (0.77) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10689725 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10691639 0.83 CYSLTR2 (0.86) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10688629 0.82 CYSLTR2 (0.78) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10688041 0.81 CYSLTR2 (0.65) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10687210 0.81 CYSLTR2 (1.00) 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
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed