SCHEMBL4552503

SCHEMBL4552503

C=C(C(=O)NOCCCC)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.37
CA2 P00918 10/20 0.37
ALDH1A1 P00352 1/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
CA9 Q16790 8/20 0.33
CA12 O43570 4/20 0.33
ATM Q13315 1/20 0.32
CNR2 P34972 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
STS P08842 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32

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
SCHEMBL6021938 0.81 CA1 (0.36) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL194349 0.78 TSHR (0.44) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL7522523 0.75 TSHR (0.40) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL28188097 0.74 TDP1 (0.43) ALDH1A1TSHRHPGDATMCNR2
SCHEMBL6021940 0.73 ALDH1A1 (0.36) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL6021937 0.73 ALDH1A1 (0.36) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL5682722 0.73 TSHR (0.52) CA1CA2ALDH1A1TSHRCA9
SCHEMBL2001226 0.71 TSHR (0.55) TSHRCNR2TRPV1
SCHEMBL28923222 0.71 TSHR (0.55) TSHRCNR2TRPV1
SCHEMBL1123372 0.71 TSHR (0.55) TSHRCNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636279-B1 POLY AND COPOLY (N -VINYLAMIDE)S AND THEIR USE IN CAPILLARY ELECTROPHORESIS APPLIED BIOSYSTEMS (US) 2009-02-18 EP disclosed