SCHEMBL9533718

SCHEMBL9533718

CC(C)(C)OC(=O)N(C=O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
ALOX5 P09917 6/20 0.52
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
BCHE P06276 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MMP12 P39900 1/20 0.45

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
SCHEMBL9537132 0.89 L3MBTL1 (0.44) L3MBTL1
SCHEMBL3014165 0.84 LTB4R (0.67) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL7835952 0.84 LTB4R (0.52) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL9537615 0.84 ALOX5 (0.60) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL14229905 0.83 LTB4R (0.56) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL4449671 0.82 LTB4R (0.55) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL4453600 0.82 LTB4R (0.55) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL4450404 0.81 BCHE (0.55) LTB4RLTB4R2ALOX5FFAR1FFAR4
SCHEMBL9536343 0.81 L3MBTL1 (0.45) ALOX5L3MBTL1
SCHEMBL7825818 0.81 LTB4R (0.51) LTB4RLTB4R2ALOX5FFAR1FFAR4

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
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed