SCHEMBL9699454

SCHEMBL9699454

CCOC(=O)c1cccc(C(=O)c2ccc(OCCCC/C=C/c3cccc(OC)c3)c(CCC(=O)O)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.72
LTB4R2 Q9NPC1 3/20 0.72
DRD3 P35462 1/20 0.72
FOS P01100 2/20 0.49
JUN P05412 2/20 0.49
ELANE P08246 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
PPARD Q03181 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
BCHE P06276 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9699459 1.00 LTB4R (0.72) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445377 0.93 LTB4R (0.84) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445380 0.93 LTB4R (0.84) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445197 0.92 LTB4R (0.85) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445192 0.92 LTB4R (0.85) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9699293 0.87 LTB4R (0.65) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9699283 0.87 LTB4R (0.65) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445326 0.86 LTB4R (0.68) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445270 0.85 LTB4R (0.67) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445275 0.85 LTB4R (0.67) LTB4RLTB4R2DRD3FOSJUN

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
US-5171882-A Leukotriene antagonists ELI LILLY AND COMPANY (US) 1992-12-15 US disclosed
US-4992576-A Antiinflammatory, antiallergens ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
EP-0276064-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
EP-0276064-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed