SCHEMBL8990426

SCHEMBL8990426

CCCc1c(OCCCOc2ccc(-c3csc(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 1.00
LTB4R2 Q9NPC1 12/20 0.83

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
SCHEMBL9198551 0.91 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL8990528 0.91 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7201121 0.90 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL8990418 0.87 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8990518 0.87 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8990523 0.87 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL9779682 0.87 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL9192574 0.84 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL8990430 0.83 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9198567 0.82 LTB4R (0.82) LTB4RLTB4R2

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-0527922-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF SEARLE & CO (US) 1995-03-08 EP claimed
EP-0527922-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF. SEARLE & CO (US) 1993-02-24 EP claimed
US-5073562-A Antiinflammatory agents; leukotriene by antagonists G. D. SEARLE & CO. (US) 1991-12-17 US claimed
WO-1991017160-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF G.D. SEARLE & CO. (US) 1991-11-14 WO claimed
US-5578619-A LEUKOTRIENE B4 ANTAGONISTS, ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 1996-11-26 US disclosed
WO-1995032201-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-SULFONIMIDES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1995-11-30 WO disclosed
EP-0527922-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF SEARLE & CO (US) 1995-03-08 EP disclosed
US-5192782-A Leukotriene antagonists, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-03-09 US disclosed
EP-0527922-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF. SEARLE & CO (US) 1993-02-24 EP disclosed
WO-1991017160-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed