SCHEMBL8995047

SCHEMBL8995047

CC(=O)N=NCc1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SRD5A2 P31213 1/20 0.38
RARB P10826 1/20 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
SCHEMBL8994894 0.88 LTB4R (0.67) LTB4RLTB4R2PLA2G4BHRH3
SCHEMBL8994933 0.85 THRB (0.43) LTB4RLTB4R2ITGB3ITGA2BSRD5A2
SCHEMBL8995081 0.85 MAOB (0.45) LTB4R
SCHEMBL8995092 0.85 LTB4R (0.43) LTB4RGAAL3MBTL1LTB4R2GPR119
SCHEMBL8995002 0.82 LMNA (0.46) LTB4RLTB4R2TSHR
SCHEMBL8590612 0.81 LTB4R (0.42) LTB4RLTB4R2ITGB3ITGA2B
SCHEMBL8590372 0.79 PPARA (0.40) LTB4R
SCHEMBL8995041 0.79 LTB4R (0.54) LTB4RGAAL3MBTL1LTB4R2TP53
SCHEMBL8593369 0.78 FFAR1 (0.40) LTB4R
SCHEMBL8995034 0.77 LTB4R (0.64) LTB4RLTB4R2PLA2G4BHRH3

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
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US claimed
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed