SCHEMBL8887199

SCHEMBL8887199

COc1cc([C@@H]2SC[C@H](c3cc(OC)c(OC)c(OC)c3)S2)cc(N)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 9/20 0.45
TUBB P07437 9/20 0.45
TUBA3C P0DPH7 9/20 0.45
TUBA1B P68363 9/20 0.45
TUBA4A P68366 9/20 0.45
TUBB4B P68371 9/20 0.45
TUBB3 Q13509 9/20 0.45
TUBB2A Q13885 9/20 0.45
TUBB8 Q3ZCM7 9/20 0.45
TUBA3E Q6PEY2 9/20 0.45
TUBA1A Q71U36 9/20 0.45
TUBA1C Q9BQE3 9/20 0.45
TUBB6 Q9BUF5 9/20 0.45
TUBB2B Q9BVA1 9/20 0.45
TUBB1 Q9H4B7 9/20 0.45
PTAFR P25105 2/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7807600 1.00 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7807588 1.00 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7807592 1.00 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8887187 1.00 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7817877 0.91 PTAFR (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7817886 0.91 PTAFR (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7817882 0.91 PTAFR (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9075025 0.86 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9077247 0.86 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9077252 0.86 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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