SCHEMBL9821796

SCHEMBL9821796

CCCc1c(OCCCOc2ccc3c(c2CCC)OC(C)(CCC(=O)OC)CC3=O)ccc(C(C)=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
CYSLTR2 Q9NS75 13/20 0.48
CYSLTR1 Q9Y271 13/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
PDE5A O76074 2/20 0.46
GRM2 Q14416 1/20 0.44

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
SCHEMBL10407624 0.96 PPARG (0.53) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL10639132 0.92 PPARG (0.46) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL9821787 0.92 PPARG (0.44) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL9821795 0.92 PPARG (0.44) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL9821655 0.92 PPARG (0.44) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL9821791 0.92 PPARG (0.44) PPARGPPARDPPARALTB4RLTB4R2
Sc-39070 SCHEMBL9119171 0.92 CYSLTR2 (0.56) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL9821665 0.91 LTB4R (0.50) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL10407815 0.91 LTB4R (0.49) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL10344478 0.90 PPARG (0.56) PPARGPPARDPPARALTB4RLTB4R2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139809-A1 Substituted dihydrobenzopyrans G.D. Searle & Co. (US) 1985-05-08 EP claimed
EP-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP disclosed
EP-0254329-B1 SUBSTITUTED DIHYDROBENZOPYRANONES G.D. Searle & Co. (US) 1990-09-26 EP disclosed
US-4952705-A Substituted dihydrobenzopyrans G. D. SEARLE & CO. (US) 1990-08-28 US disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed
US-4888356-A Use of substituted dihydrobenzopyrans for allergy and inflammation G. D. SEARLE AND COMPANY (US) 1989-12-19 US disclosed
US-4778903-A Substituted dihydrobenzopyrans G. D. SEARLE & CO. (US) 1988-10-18 US disclosed
EP-0254329-A1 Substituted dihydrobenzopyranones G.D. Searle & Co. (US) 1988-01-27 EP disclosed
US-4665203-A Substituted dihydrobenzopyrans useful as leukotriene D4 inhibitors G. D. SEARLE & CO. (US) 1987-05-12 US disclosed
EP-0139809-A1 Substituted dihydrobenzopyrans G.D. Searle & Co. (US) 1985-05-08 EP disclosed