SCHEMBL7818360

SCHEMBL7818360

COc1cc(C(S)CS)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41

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
SCHEMBL7815128 1.00 PTGS2 (0.45) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL7817671 0.84 FYN (0.34) PTGS2ACHEMAPTL3MBTL1TUBB4A
SCHEMBL7820966 0.82 PKM (0.41) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL11233982 0.80 PTGS2 (0.45) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL683553 0.72 ACHE (0.54) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL9828544 0.72 ACHE (0.54) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL2618698 0.71 PTGS2 (0.54) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL10110894 0.71 PTGS2 (0.54) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL4098658 0.71 PTGS2 (0.54) PTGS2ACHEMAPTCYP3A4CA9
SCHEMBL9730287 0.70 ACHE (0.52) PTGS2ACHEMAPTCYP3A4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574510-B1 2,4-DIARYL-1,3-DITHIOLANES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CT FOR INNOVATIVE TECHNOLOGY (US) 2001-09-05 EP disclosed
US-5639782-A ANTIINFLAMMATORY AGENT; ANTIALLERGENS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-06-17 US disclosed
US-5530141-A REDUCES THE CHEMOTAXIS AND RESPIRATORY BURST LEADING TO THE FORMATION OF DAMAGING OXYGEN RADICAL DURING INFLAMMATORY AND IMMUNE RESPONSE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1996-06-25 US disclosed
EP-0574510-A4 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS INNOVATIVE TECH CENTER (US) 1994-07-06 EP disclosed
WO-1994006790-A1 2,4-DIARYL-1,3-DITHIOLANES; 2,4-DIARYL-1,3-DIOXOLANES; 2,4-DIARYL-1,3-OXATHIOLANES; AND 2,5-DIARYL-1,3-OXATHIOLANES AS PAF RECEPTOR ANTGONISTS AND INHIBITORS OF 5-LIPOXYGENASE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-31 WO disclosed
EP-0574510-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-12-22 EP disclosed
WO-1992015294-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-09-17 WO disclosed