SCHEMBL7201121

SCHEMBL7201121

CCCc1c(OCCCOc2ccc(-c3csc(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(I)CC2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.81
LTB4R2 Q9NPC1 13/20 0.66

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
SCHEMBL8990426 0.90 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9198551 0.89 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9198567 0.80 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL8990528 0.80 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9192574 0.78 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL8990523 0.76 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL9779682 0.76 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL9196388 0.76 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL9201146 0.76 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL9199443 0.76 LTB4R (0.64) LTB4RLTB4R2

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-6617345-B1 Cyclooxygenase-2 inhibitor is (5-bromo-2-(4-fluorophenyl )-3-(4-(methylsulfonyl)phey)-thiophene), N-(2-(cyclohexyloxy 4-nitrophenyl)-methanesulfonamide), meloxicam, flosulide or cyclic substituted phenyl sulfones or sulfonamides G.D. SEARLE & CO. 2003-09-09 US disclosed