SCHEMBL7818795

SCHEMBL7818795

COc1cc([C@@H]2SC[C@@H](c3cc(OC)c(O)c(OC)c3)S2)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PPARD Q03181 1/20 0.44
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
CYP2B6 P20813 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.40
MPI P34949 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7818790 1.00 PTPN1 (0.44) PTPN1PPARDTSHRKMT2ACYP3A4
SCHEMBL7818788 1.00 PTPN1 (0.44) PTPN1PPARDTSHRKMT2ACYP3A4
SCHEMBL7818022 0.94 PTPN1 (0.40) PTPN1PPARDTSHRKMT2ACYP3A4
SCHEMBL7818014 0.94 PTPN1 (0.40) PTPN1PPARDTSHRKMT2ACYP3A4
SCHEMBL7817877 0.85 PTAFR (0.45) PTPN1TSHRKMT2ACYP3A4MAPT
SCHEMBL7817882 0.85 PTAFR (0.45) PTPN1TSHRKMT2ACYP3A4MAPT
SCHEMBL7817886 0.85 PTAFR (0.45) PTPN1TSHRKMT2ACYP3A4MAPT
SCHEMBL7815889 0.85 IGF1R (0.36) PTPN1PPARDTSHRKMT2ACYP3A4
SCHEMBL7815441 0.85 IGF1R (0.36) PTPN1PPARDTSHRKMT2ACYP3A4
SCHEMBL7807573 0.84 TUBB4A (0.37) PTPN1TSHRKMT2ACYP3A4MAPT

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