SCHEMBL14101003

SCHEMBL14101003

Cc1cc(C(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ESR1 P03372 2/20 0.47
TSHR P16473 2/20 0.47
MYC P01106 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
GRM1 Q13255 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
CDC25B P30305 1/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL2782333 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ESR1TSHRHSD17B10TDP1
SCHEMBL2590708 0.85 L3MBTL1 (0.53) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL27890841 0.83 L3MBTL1 (0.52) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL1050351 0.83 PKM (0.58) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL27589469 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL11893905 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL7542974 0.82 CDC25B (0.55) SMN1; SMN2TSHRTDP1KMT2ACDC25B
SCHEMBL11894549 0.81 TDP1 (0.48) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL11893853 0.80 ESR1 (0.47) SMN1; SMN2ESR1TSHRMYCALOX15
SCHEMBL2588979 0.80 GRM1 (0.46) SMN1; SMN2ESR1TSHRMYCALOX15

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-1491590-B1 Triphenylmethane colorant compounds and phase change inks containing the same XEROX CORP (US) 2008-08-20 EP disclosed