SCHEMBL9373373

SCHEMBL9373373

CN(C)C(=O)N(O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.71
LTB4R Q15722 2/20 0.66
LTB4R2 Q9NPC1 2/20 0.66
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
EGFR P00533 2/20 0.54
BCHE P06276 1/20 0.53

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
SCHEMBL9374202 0.84 ALOX5 (0.73) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL10693993 0.83 ALOX5 (1.00) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL10695721 0.83 ALOX5 (0.80) ALOX5LTB4RLTB4R2FFAR1FFAR4
SCHEMBL16541044 0.83 LTB4R (0.78) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9506981 0.82 ALOX5 (1.00) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9373237 0.81 ALOX5 (0.64) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL16552363 0.81 LTB4R (0.66) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL13886624 0.81 TAAR1 (0.66) ALOX5LTB4RLTB4R2FFAR1FFAR4
SCHEMBL17931580 0.80 LTB4R (0.64) ALOX5LTB4RLTB4R2PTGS1PTGS2
Hydrochloric Acid SCHEMBL17923750 0.80 LTB4R (0.64) ALOX5LTB4RLTB4R2FFAR1FFAR4

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
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed