SCHEMBL7612653

SCHEMBL7612653

CCCc1c(OCCCOc2cc(OCc3ccccc3)c(-c3cc[nH]n3)cc2CC)cccc1Oc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.62
LTB4R2 Q9NPC1 20/20 0.62

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
SCHEMBL6807440 0.85 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL9075382 0.84 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9075937 0.82 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9073999 0.82 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9075281 0.80 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9074390 0.80 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL6806844 0.79 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL7638424 0.79 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL6806947 0.79 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL9075483 0.79 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263743-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-12-11 EP disclosed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034580-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed