SCHEMBL9808022

SCHEMBL9808022

C=CCc1cc(SCCOC(=O)CSc2ccc(O)c(CC=C)c2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GABRB1 P18505 1/20 0.37
RXRA P19793 1/20 0.37
CNR1 P21554 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CNR2 P34972 1/20 0.37
GABRA2 P47869 1/20 0.37
KMT2A Q03164 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL9808067 0.88 GABRA1 (0.47) GABRA1GABRB2POLBALDH1A1LMNA
SCHEMBL9808053 0.81 APP (0.43) POLBALDH1A1HTTMEN1GAA
SCHEMBL9808214 0.79 HTT (0.48) GABRA1GABRB2POLBALDH1A1LMNA
SCHEMBL9808059 0.78 GAA (0.40) HTTMEN1GAAMAPTKMT2A
SCHEMBL9808292 0.77 BCL2L11 (0.38) ALDH1A1HPGDHTTGAAMAPT
SCHEMBL9808295 0.75 KDM4E (0.45) POLBALDH1A1HTTMEN1GAA
SCHEMBL9808040 0.74 MEN1 (0.39) POLBHTTMEN1GAAMAPT
SCHEMBL9808029 0.74 MEN1 (0.39) POLBHTTMEN1GAAMAPT
SCHEMBL3759191 0.73 HSP90AA1 (0.44) POLBALDH1A1HTTMEN1GAA
SCHEMBL9808202 0.72 APP (0.41) POLBALDH1A1HTTGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed