SCHEMBL9149573

SCHEMBL9149573

CCCCCCCCCCOc1ccc2c(=O)c3cccc(C(=O)O)c3oc2c1CCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 1.00
LTB4R2 Q9NPC1 6/20 0.53
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PDE5A O76074 2/20 0.44
PPARA Q07869 2/20 0.43
GPR17 Q13304 1/20 0.43

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
SCHEMBL9150020 0.83 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL9149520 0.82 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7972701 0.82 LTB4R (1.00) LTB4RLTB4R2GPR17
SCHEMBL9484292 0.73 LTB4R (0.57) LTB4RLTB4R2
SCHEMBL9617084 0.72 LTB4R (0.69) LTB4R
SCHEMBL11797746 0.70 TTR (0.51) LTB4R
SCHEMBL10979140 0.70 LTB4R (0.54) LTB4RLTB4R2PPARGPPARDPDE5A
SCHEMBL9216249 0.70 CNR1 (0.66) LTB4R
Octanedioate SCHEMBL30999498 0.69 ALDH1A1 (0.67) LTB4RLTB4R2
Triphenylene SCHEMBL7588535 0.68 KMT2A (0.68)

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-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed