SCHEMBL8949681

SCHEMBL8949681

CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(Oc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.77
LTB4R2 Q9NPC1 8/20 0.77
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
PPARD Q03181 1/20 0.45
PDE5A O76074 2/20 0.44

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
SCHEMBL8949701 0.89 LTB4R (0.80) LTB4RLTB4R2PPARD
SCHEMBL8949612 0.89 LTB4R (0.80) LTB4RLTB4R2TP53PPARD
SCHEMBL8949619 0.88 LTB4R (0.78) LTB4RLTB4R2TP53PPARD
SCHEMBL8949622 0.87 LTB4R (1.00) LTB4RLTB4R2PPARDPDE5A
SCHEMBL8949584 0.79 LTB4R (0.69) LTB4RLTB4R2TP53
SCHEMBL8949773 0.79 LTB4R (0.79) LTB4RLTB4R2MAPTL3MBTL1PDE5A
SCHEMBL8949687 0.79 LTB4R (0.82) LTB4RLTB4R2PPARD
SCHEMBL23788296 0.78 LTB4R (0.60) LTB4RLTB4R2PDE5A
SCHEMBL8949716 0.78 LTB4R (0.81) LTB4RLTB4R2PPARD
SCHEMBL8949721 0.77 LTB4R (1.00) LTB4RLTB4R2PPARD

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-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed