SCHEMBL10691196

SCHEMBL10691196

CC(C)(C)N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.74
LTB4R Q15722 1/20 0.62
LTB4R2 Q9NPC1 1/20 0.62
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
MAOB P27338 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL2755055 0.85 ALOX5 (1.00) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL3132030 0.82 ALOX5 (0.83) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL10873740 0.82 ALOX5 (0.48) ALOX5L3MBTL1
SCHEMBL10689449 0.80 ALOX5 (1.00) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL10692791 0.80 ALOX5 (1.00) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL8652025 0.79 ALOX5 (0.76) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL2353230 0.79 ALOX5 (0.76) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL10693993 0.78 ALOX5 (1.00) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL10693843 0.77 ALOX5 (1.00) ALOX5LTB4RLTB4R2
SCHEMBL68570 0.77 ALOX5 (0.69) ALOX5LTB4RLTB4R2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed