SCHEMBL8325328

SCHEMBL8325328

COc1ccc(N=Cc2cc(OC)c(O)c(OC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.66
PTGS2 P35354 7/20 0.65
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
PTGS1 P23219 3/20 0.51
CYP1B1 Q16678 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
AMY1A P0DUB6 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL8325327 1.00 S100B (0.66) S100BPTGS2GAAMAPTKMT2A
SCHEMBL28964170 0.87 PTGS2 (0.65) S100BPTGS2GAAMAPTKMT2A
SCHEMBL9188784 0.87 PTGS2 (0.65) S100BPTGS2PTGS1CYP1B1CA12
SCHEMBL8321668 0.87 PTGS2 (0.65) S100BPTGS2GAAMAPTKMT2A
SCHEMBL9188791 0.87 PTGS2 (0.65) S100BPTGS2PTGS1CYP1B1CA12
SCHEMBL8321666 0.87 PTGS2 (0.65) S100BPTGS2GAAMAPTKMT2A
SCHEMBL8575451 0.86 PTGS2 (0.58) S100BPTGS2GAAMAPTKMT2A
SCHEMBL8575456 0.86 PTGS2 (0.58) S100BPTGS2GAAMAPTKMT2A
SCHEMBL8319294 0.86 PTGS2 (0.69) S100BPTGS2GAAMAPTKMT2A
SCHEMBL8319299 0.86 PTGS2 (0.69) S100BPTGS2GAAMAPTKMT2A

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
US-5990137-A ANTIINFLAMMATION AGENTS; PREVENTING THE OXIDATING BURST FROM PHAGOCYTIC LEUKOCYTES; CONTROLLING FREE RADICALS IN THE IMMUNE RESPONSE IDUN PHARMACEUTICALS, INC. (US) 1999-11-23 US disclosed
US-5939460-A Method of inhibiting NADPH oxidase IDUN PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed
WO-1998001120-A1 METHOD OF INHIBITING NADPH OXIDASE IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-01-15 WO disclosed