SCHEMBL9821733

SCHEMBL9821733

CCCc1c(OCCCI)ccc(C(C)=O)c1OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.60
CYSLTR1 Q9Y271 15/20 0.60
LMNA P02545 2/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
GRM2 Q14416 2/20 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
BLM P54132 1/20 0.49
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 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
SCHEMBL8777250 0.90 LTB4R (0.57) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9821860 0.88 CYSLTR2 (0.61) CYSLTR2CYSLTR1LMNAPPARGPPARD
Ethylene SCHEMBL8977854 0.88 LTB4R (0.55) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL8825139 0.84 PPARG (0.67) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10689994 0.81 CYSLTR2 (0.62) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL11042483 0.81 GRM2 (0.69) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10688185 0.80 CYSLTR2 (0.63) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL11050054 0.77 PPARG (0.65) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10775711 0.77 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9042851 0.77 LTB4R (0.57) CYSLTR2CYSLTR1LMNAPPARGPPARD

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-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed