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SCHEMBL7565220

SCHEMBL7565220

C/C(C(=O)O)=C1/C(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.55
▸ PTGS1 P23219 10/20 0.51
▸ ABCB11 O95342 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MT-CO2 P00403 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ MC4R P32245 1/20 0.50

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
SCHEMBL7573876 0.76 PTGS2 (0.62) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3252409 0.73 PTGS2 (0.68) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL1687503 0.73 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL8770202 0.73 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL8423806 0.73 PTGS2 (0.69) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL4751671 0.71 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7565227 0.69 PTGS2 (0.61) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7566329 0.69 PTGS2 (0.66) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL5502727 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7565544 0.68 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 — — EP claimed