SCHEMBL6021940

SCHEMBL6021940

CCCCONC(=O)C(C)=CS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ATM Q13315 1/20 0.34
STS P08842 8/20 0.33
CNR2 P34972 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.32
CNR1 P21554 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL6021937 1.00 ALDH1A1 (0.36) ALDH1A1CA1CA2ATMSTS
SCHEMBL237669 0.81 ALDH1A1 (0.42) ALDH1A1CA1CA2ATMCNR2
SCHEMBL13506270 0.81 ALDH1A1 (0.42) ALDH1A1CA1CA2ATMCNR2
SCHEMBL21694736 0.78 ALDH1A1 (0.39) ALDH1A1CA1CA2ATMCNR2
SCHEMBL6856318 0.77 ALDH1A1 (0.38) ALDH1A1ATMCNR2TRPV1MAPT
SCHEMBL6856313 0.77 ALDH1A1 (0.38) ALDH1A1ATMCNR2TRPV1MAPT
SCHEMBL27907041 0.76 CES2 (0.40) ALDH1A1CA1CA2ATMCNR2
SCHEMBL4552503 0.73 CA1 (0.37) ALDH1A1CA1CA2ATMSTS
SCHEMBL6021938 0.72 CA1 (0.36) ALDH1A1CA1CA2ATMSTS
SCHEMBL194349 0.72 TSHR (0.44) ALDH1A1CA1CA2ATMCNR2

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-1636279-A1 POLY AND COPOLY (N -VINYLAMIDE)S AND THEIR USE IN CAPILLARY ELECTROPHORESIS Applera Corporation (US) 2006-03-22 EP disclosed
WO-2004104054-A1 POLY AND COPOLY (N-VINYLAMIDE)S AND THEIR USE IN CAPILLARY ELECTROPHORESIS APPLERA CORPORATION (US) 2004-12-02 WO disclosed