SCHEMBL9699283

SCHEMBL9699283

CCOC(=O)c1cccc(C(=O)c2ccc(OCCCC/C=C/c3ccccc3OC)c(CCC(=O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.65
LTB4R2 Q9NPC1 5/20 0.65
DRD3 P35462 1/20 0.65
FOS P01100 2/20 0.44
JUN P05412 2/20 0.44
ELANE P08246 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR1 P21453 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38

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
SCHEMBL9699293 1.00 LTB4R (0.65) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445298 0.93 LTB4R (0.58) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445294 0.93 LTB4R (0.58) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445410 0.92 LTB4R (0.76) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445404 0.92 LTB4R (0.76) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445377 0.88 LTB4R (0.84) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445380 0.88 LTB4R (0.84) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9699454 0.87 LTB4R (0.72) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9699459 0.87 LTB4R (0.72) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445333 0.86 LTB4R (0.58) 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 2 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