SCHEMBL9198565

SCHEMBL9198565

CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(C(=O)OC)CC2

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.87
LTB4R2 Q9NPC1 12/20 0.87

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
SCHEMBL9192878 0.94 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL8990430 0.93 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL31539110 0.89 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL1891598 0.89 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9194548 0.88 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL8990429 0.87 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9196119 0.87 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL9198403 0.87 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL9373296 0.87 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL9198578 0.86 LTB4R (0.88) 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 4 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 disclosed
US-5212198-A Antiinflammatory agents G. D. SEARLE & CO. (US) 1993-05-18 US disclosed
US-5192782-A Leukotriene antagonists, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-03-09 US disclosed
US-5073562-A Antiinflammatory agents; leukotriene by antagonists G. D. SEARLE & CO. (US) 1991-12-17 US disclosed