SCHEMBL11061537

SCHEMBL11061537

O=C1NC(=O)C2=C1c1ccc(cc1)Cc1ccc2cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
GSK3B P49841 9/20 0.38
GSK3A P49840 1/20 0.33

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
SCHEMBL6338000 0.73 PTGS2 (0.47) PTGS2GSK3B
SCHEMBL114611 0.72 PTGS2 (0.67) PTGS2GSK3B
SCHEMBL9474080 0.70 PTGS2 (0.64) PTGS2GSK3B
SCHEMBL10523836 0.69 ALDH1A1 (0.35)
SCHEMBL7193397 0.68 PTGS2 (0.48) PTGS2GSK3B
SCHEMBL3815134 0.67 PTGS2 (0.65) PTGS2GSK3B
SCHEMBL3816794 0.67 GSK3B (0.67) PTGS2GSK3BGSK3A
SCHEMBL28818338 0.66 MGLL (0.60)
SCHEMBL1133537 0.65 PTGS2 (0.57) PTGS2GSK3BGSK3A
SCHEMBL6704189 0.64 PTGS2 (0.58) PTGS2GSK3BGSK3A

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
US-4460748-A Process for crosslinking and, if desired, foaming natural or synthetic homo- and/or copolymers LUPEROX GMBH (DE) 1984-07-17 US disclosed