SCHEMBL6129708

SCHEMBL6129708

CCc1ccc(C=CSc2ccccc2OC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 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
SCHEMBL6129707 1.00 PTGS2 (0.50) PTGS2
SCHEMBL6129724 0.87 PTGS2 (0.54) PTGS2
SCHEMBL6129725 0.87 PTGS2 (0.54) PTGS2
SCHEMBL6129711 0.85 PTGS2 (0.47) PTGS2
SCHEMBL6129716 0.85 PTGS2 (0.47) PTGS2
SCHEMBL6129710 0.85 PTGS2 (0.47) PTGS2
SCHEMBL6129715 0.85 PTGS2 (0.47) PTGS2
SCHEMBL6129717 0.84 PTGS2 (0.46) PTGS2
SCHEMBL6129701 0.84 PTGS2 (0.46) PTGS2
SCHEMBL6129703 0.84 PTGS2 (0.46) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191929-A4 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS UNIV TEMPLE (US) 2005-02-16 EP disclosed
US-6656968-B1 Selectively inhibit the cyclooxygenase activity of COX-2 over COX-1; addition polymers of compound TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-12-02 US disclosed
EP-1191929-A2 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS Temple University of the Commonwealth System of Higher Education (US) 2002-04-03 EP disclosed
WO-2000077169-A2 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed