SCHEMBL9696967

SCHEMBL9696967

CCOC(=O)c1cccc(C(=O)c2ccc(OCCCCCCc3ccccc3OC)c(CCC(=O)O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.64
LTB4R2 Q9NPC1 9/20 0.53
DRD3 P35462 1/20 0.53
FOS P01100 2/20 0.47
JUN P05412 2/20 0.47
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9445234 0.91 LTB4R (0.74) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445311 0.88 LTB4R (0.82) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445157 0.88 LTB4R (0.58) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445265 0.87 LTB4R (0.68) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445266 0.87 LTB4R (0.63) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9696976 0.86 LTB4R (0.62) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9699293 0.85 LTB4R (0.65) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9699283 0.85 LTB4R (0.65) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445320 0.85 LTB4R (0.74) LTB4RLTB4R2DRD3FOSJUN
SCHEMBL9445207 0.84 LTB4R (0.64) 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