SCHEMBL7818014

SCHEMBL7818014

COc1cc(C2SCC(c3cc(OC)c(OC)c(OC)c3)S2)cc(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
PPARD Q03181 1/20 0.40
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40
TUBB4B P68371 4/20 0.40
TUBB3 Q13509 4/20 0.40
TUBB2A Q13885 4/20 0.40
TUBB8 Q3ZCM7 4/20 0.40
TUBA3E Q6PEY2 4/20 0.40
TUBA1A Q71U36 4/20 0.40
TUBA1C Q9BQE3 4/20 0.40
TUBB6 Q9BUF5 4/20 0.40
TUBB2B Q9BVA1 4/20 0.40
TUBB1 Q9H4B7 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
PTAFR P25105 2/20 0.40

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
SCHEMBL7818022 1.00 PTPN1 (0.40) PTPN1PPARDTUBB4ATUBBTUBA3C
SCHEMBL7818790 0.94 PTPN1 (0.44) PTPN1PPARDTUBB1MAPTCYP3A4
SCHEMBL7818788 0.94 PTPN1 (0.44) PTPN1PPARDTUBB1MAPTCYP3A4
SCHEMBL7818795 0.94 PTPN1 (0.44) PTPN1PPARDTUBB1MAPTCYP3A4
SCHEMBL7817886 0.93 PTAFR (0.45) PTPN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7817877 0.93 PTAFR (0.45) PTPN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7817882 0.93 PTAFR (0.45) PTPN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7815889 0.91 IGF1R (0.36) PTPN1PPARDTUBB4ATUBBTUBA3C
SCHEMBL7815441 0.91 IGF1R (0.36) PTPN1PPARDTUBB4ATUBBTUBA3C
SCHEMBL7807573 0.91 TUBB4A (0.37) PTPN1TUBB4ATUBBTUBA3CTUBA1B

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