SCHEMBL8522129

SCHEMBL8522129

O=C(O)c1cccc(C[C@@H]2COc3cc(OCc4ccc5ccccc5n4)ccc3[C@@H]2O)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.75
LTB4R2 Q9NPC1 2/20 0.58
CYSLTR1 Q9Y271 3/20 0.57
CYSLTR2 Q9NS75 1/20 0.57
GPBAR1 Q8TDU6 2/20 0.57

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
SCHEMBL8522124 1.00 LTB4R (0.75) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8466113 1.00 LTB4R (0.75) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8466117 1.00 LTB4R (0.75) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8466111 1.00 LTB4R (0.75) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8464095 0.94 LTB4R (0.73) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8465979 0.94 LTB4R (0.73) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8465774 0.94 LTB4R (0.73) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8465780 0.94 LTB4R (0.73) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8465632 0.94 LTB4R (0.73) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8829477 0.88 LTB4R (0.71) LTB4RLTB4R2CYSLTR1CYSLTR2GPBAR1

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-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed