SCHEMBL7817671

SCHEMBL7817671

COCOc1c(OC)cc(C(S)CS)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.34
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 1/20 0.32
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31
TUBA1C Q9BQE3 3/20 0.31
TUBB6 Q9BUF5 3/20 0.31

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
SCHEMBL7818360 0.84 PTGS2 (0.45) MAPTHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL7815128 0.84 PTGS2 (0.45) MAPTHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL7820966 0.75 PKM (0.41) MAPTPTGS2ACHE
SCHEMBL16705734 0.72 CYP1A2 (0.47) FYNHTR2AHTR2CHTR2BPTGS2
SCHEMBL7036251 0.72 NFKB1 (0.54) FYNMAPTHTR2AHTR2CHTR2B
SCHEMBL7040275 0.67 ALDH1A1 (0.48) MAPTL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL2744767 0.67 ALDH1A1 (0.50) MAPTL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL28586196 0.66 SMN1; SMN2 (0.65) MAPTL3MBTL1SMN1; SMN2
SCHEMBL11233982 0.66 PTGS2 (0.45) MAPTHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL8481616 0.66 TPMT (0.59) L3MBTL1PTGS2

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 5 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
EP-0574510-A4 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS INNOVATIVE TECH CENTER (US) 1994-07-06 EP 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