SCHEMBL10695830

SCHEMBL10695830

O=C(Cc1ccc(OCc2ccccc2)cc1)N(O)Cc1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.74
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL10689449 0.86 ALOX5 (1.00) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL10693993 0.78 ALOX5 (1.00) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL2755055 0.77 ALOX5 (1.00) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL10692791 0.77 ALOX5 (1.00) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL4013173 0.76 PARP10 (0.62) ALOX5KDM4EALDH1A1MAOB
SCHEMBL10692771 0.76 ALOX5 (1.00) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL10692328 0.75 ALOX5 (0.70) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL3132030 0.74 ALOX5 (0.83) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL23637666 0.74 L3MBTL1 (0.56) PTGS1PTGS2KDM4EALDH1A1L3MBTL1
SCHEMBL6176980 0.74 ALOX5 (0.56) ALOX5PTGS1PTGS2LTB4RLTB4R2

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