SCHEMBL4935979

SCHEMBL4935979

C=CCc1cc([S+]([O-])c2ccc(O)c(CC=C)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.59
GABRB2 P47870 7/20 0.59
POLB P06746 2/20 0.56
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
CNR2 P34972 3/20 0.47
ALOX5 P09917 3/20 0.47
MEN1 O00255 2/20 0.47
CNR1 P21554 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
GABRB1 P18505 1/20 0.47
RXRA P19793 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
AKR1B1 P15121 2/20 0.46
XDH P47989 2/20 0.43
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL7916409 0.76 ESR1 (0.48) GABRA1GABRB2POLBARALOX12
SCHEMBL29892631 0.75 GABRA1 (1.00) GABRA1GABRB2POLBGAAMAPT
SCHEMBL71514 0.75 GABRA1 (0.70) GABRA1GABRB2POLBGAAMAPT
SCHEMBL30893166 0.75 GABRA1 (0.70) GABRA1GABRB2POLBGAAMAPT
SCHEMBL252293 0.75 GABRA1 (1.00) GABRA1GABRB2POLBGAAMAPT
SCHEMBL7854096 0.73 GABRA1 (0.68) GABRA1GABRB2POLBGAAMAPT
SCHEMBL821126 0.73 GABRA1 (0.72) GABRA1GABRB2POLBGAAMAPT
SCHEMBL3819967 0.73 GABRA1 (0.68) GABRA1GABRB2POLBGAAMAPT
SCHEMBL9297246 0.73 ALOX5 (0.46) GABRA1GABRB2MAPTCNR2ALOX5
SCHEMBL9198015 0.73 AKR1B1 (0.58) GABRA1GABRB2POLBGAAMAPT

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-1784444-B1 CROSSLINKABLE AND CROSSLINKED POLYMERS GEN ELECTRIC (US) 2014-08-13 EP disclosed
US-7390857-B2 Crosslinkable and crosslinked polymers GENERAL ELECTRIC COMPANY (US) 2008-06-24 US disclosed
EP-1784444-A2 CROSSLINKABLE AND CROSSLINKED POLYMERS The General Electric Company (US) 2007-05-16 EP disclosed
WO-2006026421-A2 CROSSLINKABLE AND CROSSLINKED POLYMERS GENERAL ELECTRIC COMPANY (US) 2006-03-09 WO disclosed
US-20060047031-A1 Crosslinkable and crosslinked polymers DOLBY INTELLECTUAL PROPERTY LICENSING, LLC 2006-03-02 US disclosed