SCHEMBL8536158

SCHEMBL8536158

CPc1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 2/20 0.38
FABP4 P15090 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK14 Q16539 1/20 0.35
NR4A1 P22736 1/20 0.34
CYP1A2 P05177 2/20 0.33
PGAM1 P18669 1/20 0.33
CHAT P28329 1/20 0.33
SNCA P37840 1/20 0.33
GAA P10253 2/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MPL P40238 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL6262273 0.83 TTR (0.40) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL10951322 0.82 MYC (0.42) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL14215939 0.80 BCAT2 (0.38) SMN1; SMN2GAAKDM4EALDH1A1L3MBTL1
SCHEMBL150335 0.75 TSHR (0.55) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL29664068 0.75 TSHR (0.55) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL14421058 0.75 HTR6 (0.52) TSHRGAAPOLBKDM4EALDH1A1
SCHEMBL30035563 0.75 TSHR (0.41) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL2593805 0.75 TSHR (0.41) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL14215942 0.74 CA2 (0.35) ALDH1A1CA1CA2CA5ACA9
SCHEMBL6678754 0.73 TSHR (0.52) MYCTSHRSMN1; SMN2TTRFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789551-A4 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1998-12-02 EP claimed
EP-0789551-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU, John R. (US) 1997-08-20 EP claimed
WO-1997011672-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1997-04-03 WO claimed