SCHEMBL6709770

SCHEMBL6709770

O=C(C#CCl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.50
NTSR1 P30989 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
GSK3B P49841 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MAPT P10636 5/20 0.46

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
SCHEMBL5143659 0.85 HSP90AA1 (0.57) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B
SCHEMBL3523522 0.78 HSP90AA1 (0.52) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B
SCHEMBL2156158 0.76 VCP (0.50) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B
SCHEMBL10829674 0.76 HSP90AA1 (0.50) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B
SCHEMBL28025835 0.76 HSP90AA1 (0.50) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B
SCHEMBL978641 0.74 VCP (0.75) HSP90AA1NTSR1ALDH1A1MAPTMEN1
SCHEMBL10413479 0.74 CES1 (0.55) HSP90AA1NTSR1ALDH1A1MAPK1CA2
SCHEMBL7464184 0.74 CES1 (0.55) HSP90AA1NTSR1ALDH1A1MAPK1CA2
SCHEMBL10724329 0.73 HSP90AA1 (0.47) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B
SCHEMBL12100834 0.73 CES1 (0.48) HSP90AA1NTSR1ALDH1A1MAPK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649207-A1 SKIN-ADHESIVE ITEM ELKEM SILICONES France SAS (FR) 2020-05-13 EP disclosed
WO-2019008238-A1 SKIN-ADHESIVE ITEM ELKEM SILICONES FRANCE SAS (FR) 2019-01-10 WO disclosed
CN-101460569-A Adhesion promoting additive AVERY DENNISON CORP (US) 2009-06-17 CN disclosed
EP-1109551-A4 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECH INC (US) 2004-10-20 EP disclosed
EP-1109551-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES Competitive Technologies, Inc. (US) 2001-06-27 EP disclosed
WO-2000010564-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECHNOLOGIES, INC. (US) 2000-03-02 WO disclosed