SCHEMBL8568759

SCHEMBL8568759

C/C=C(/Cl)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SLC6A2 P23975 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
CTSL P07711 1/20 0.41
CHRNA1 P02708 1/20 0.41

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
SCHEMBL8568764 1.00 PARP1 (0.50) PARP1HTTALDH1A1POLBGAA
SCHEMBL15047755 0.86 ATM (0.37) PARP1HTTALDH1A1POLBGAA
SCHEMBL2091649 0.78 PARP1 (0.50) PARP1HTTALDH1A1POLBGAA
SCHEMBL13335454 0.78 HTT (0.50) PARP1HTTALDH1A1POLBGAA
SCHEMBL28365847 0.78 HTT (0.50) PARP1HTTALDH1A1POLBGAA
SCHEMBL24710340 0.78 HTT (0.50) PARP1HTTALDH1A1POLBGAA
SCHEMBL29952754 0.78 PARP1 (0.50) PARP1HTTALDH1A1POLBGAA
SCHEMBL7396746 0.77 PARP1 (0.48) PARP1HTTALDH1A1POLBGAA
SCHEMBL7477836 0.76 PARP1 (0.44) PARP1HTTALDH1A1POLBGAA
SCHEMBL10599512 0.76 PARP1 (0.44) PARP1HTTALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643781-B1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR INC (US) 1998-06-24 EP claimed
US-5419817-A Osmium tetroxide catalyst; preparing hydroxycarbonyl compounds from enol ether or vinyl halide SEPRACOR INC. (US) 1995-05-30 US claimed
EP-0643781-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1995-03-22 EP claimed
WO-1993017150-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1993-09-02 WO claimed
EP-0643781-B1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR INC (US) 1998-06-24 EP disclosed
US-5419817-A Osmium tetroxide catalyst; preparing hydroxycarbonyl compounds from enol ether or vinyl halide SEPRACOR INC. (US) 1995-05-30 US disclosed
EP-0643781-A4 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS. 1995-04-26 EP disclosed
EP-0643781-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1995-03-22 EP disclosed
US-5302257-A Preparing optically active glycols using catalyst complex of osmium tetroxide and chiral oxidation resistant tertiary amine, employing secondary oxidant to generate osmium tetroxide, electrolytically regenerating secondary oxidant SEPRACOR, INC. (US) 1994-04-12 US disclosed
WO-1993017150-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1993-09-02 WO disclosed