SCHEMBL8994994

SCHEMBL8994994

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(N)=NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.68
LTB4R2 Q9NPC1 1/20 0.64
S1PR3 Q99500 4/20 0.44
S1PR1 P21453 2/20 0.44
PLA2G4B P0C869 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRSS1 P07477 2/20 0.42
REN P00797 4/20 0.42
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8994893 0.88 LTB4R (0.74) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8994891 0.85 LTB4R (0.75) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8747955 0.85 LTB4R (0.78) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8747956 0.85 LTB4R (0.78) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8748238 0.85 LTB4R (0.78) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8748241 0.85 LTB4R (0.78) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8747965 0.84 LTB4R (0.76) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8747967 0.84 LTB4R (0.76) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL6138115 0.84 LTB4R (0.74) LTB4RLTB4R2PLA2G4BMAPTLMNA
SCHEMBL8994930 0.83 LTB4R (0.75) LTB4RLTB4R2PLA2G4BMAPTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed