SCHEMBL6129705

SCHEMBL6129705

COc1ccc(/C=C\Sc2ccccc2OC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 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
SCHEMBL6129706 1.00 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6129716 0.86 PTGS2 (0.47) PTGS2MAOAMAOB
SCHEMBL6129710 0.86 PTGS2 (0.47) PTGS2
SCHEMBL6129711 0.86 PTGS2 (0.47) PTGS2
SCHEMBL6129715 0.86 PTGS2 (0.47) PTGS2MAOAMAOB
SCHEMBL6129703 0.85 PTGS2 (0.46) PTGS2
SCHEMBL6129717 0.85 PTGS2 (0.46) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL6129719 0.85 PTGS2 (0.46) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL6129701 0.85 PTGS2 (0.46) PTGS2
SCHEMBL6129708 0.83 PTGS2 (0.50) 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