SCHEMBL7815853

SCHEMBL7815853

COc1cc(C2SCC(c3cc(OC)c(OC)c(OC)c3)S2)cc(I)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.39
ACHE P22303 2/20 0.37
PTPN1 P18031 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.35
TUBB4A P04350 5/20 0.33
TUBB P07437 5/20 0.33
TUBA3C P0DPH7 5/20 0.33
TUBA1B P68363 5/20 0.33
TUBA4A P68366 5/20 0.33
TUBB4B P68371 5/20 0.33
TUBB3 Q13509 5/20 0.33
TUBB2A Q13885 5/20 0.33
TUBB8 Q3ZCM7 5/20 0.33
TUBA3E Q6PEY2 5/20 0.33
TUBA1A Q71U36 5/20 0.33
TUBA1C Q9BQE3 5/20 0.33

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
SCHEMBL7817886 0.91 PTAFR (0.45) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7817877 0.91 PTAFR (0.45) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7817882 0.91 PTAFR (0.45) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7821714 0.91 TUBB4A (0.40) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7821716 0.91 TUBB4A (0.40) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7815441 0.90 IGF1R (0.36) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7815889 0.90 IGF1R (0.36) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7818022 0.84 PTPN1 (0.40) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7818014 0.84 PTPN1 (0.40) PTAFRACHEPTPN1KMT2AALDH1A1
SCHEMBL7807600 0.83 TUBB4A (0.45) PTAFRACHEPTPN1KMT2AALDH1A1

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 3 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
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