SCHEMBL8769752

SCHEMBL8769752

C=CCc1ccc(S(=O)(=O)c2ccc(CC=C)c(CC=C)c2)cc1CC=C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA7 P43166 2/20 0.34
CA12 O43570 2/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL8660346 0.85 POLB (0.57) POLBGABRA1GABRB2FFAR4TSHR
SCHEMBL9281615 0.85 POLB (0.57) POLBGABRA1GABRB2GAAMAPT
SCHEMBL29375900 0.83 POLB (1.00) POLBGABRA1GABRB2GAAMAPT
SCHEMBL29420401 0.83 POLB (1.00) POLBGABRA1GABRB2GAAMAPT
SCHEMBL28231 0.83 POLB (1.00) POLBGABRA1GABRB2GAAMAPT
SCHEMBL3403169 0.83 POLB (1.00) POLBGABRA1GABRB2GAAMAPT
SCHEMBL11786266 0.81 POLB (0.50) POLBFFAR4TSHRMAPK1MAPT
SCHEMBL11263449 0.80 POLB (0.66) POLBGABRA1GABRB2TSHRGAA
SCHEMBL5879449 0.79 POLB (0.59) POLBGABRA1GABRB2FFAR4TSHR
SCHEMBL29135911 0.79 POLB (0.59) POLBGABRA1GABRB2FFAR4TSHR

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
EP-0601177-B1 METHOD FOR PREPARING AROMATIC CARBOXYLIC ACIDS AMOCO CORP (US) 1997-09-17 EP disclosed
US-5292934-A Oxidation AMOCO CORPORATION (US) 1994-03-08 US disclosed