SCHEMBL13619014

SCHEMBL13619014

NC(=O)[C@@H](c1ccccc1)S(=O)(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.70
PTPN1 P18031 3/20 0.51
PTPN6 P29350 3/20 0.51
PTPN11 Q06124 3/20 0.51
ALDH1A1 P00352 1/20 0.47
ACP1 P24666 6/20 0.45
PTPN12 Q05209 3/20 0.45
PTPN7 P35236 2/20 0.45
PTPN13 Q12923 2/20 0.45
SSU72 Q9NP77 2/20 0.45
EPHX1 P07099 1/20 0.44
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL9706850 1.00 SRC (0.70) SRCPTPN1PTPN6PTPN11ALDH1A1
SCHEMBL4749781 0.83 SRC (0.53) SRCEPHX1CYP2D6CYP2C19CA12
SCHEMBL20869602 0.83 SRC (1.00) SRCPTPN1PTPN6PTPN11ALDH1A1
SCHEMBL9912818 0.83 SRC (1.00) SRCPTPN1PTPN6PTPN11ALDH1A1
SCHEMBL11166146 0.83 SRC (1.00) SRCPTPN1PTPN6PTPN11ALDH1A1
SCHEMBL11764038 0.82 SRC (0.62) SRCPTPN1PTPN6PTPN11ALDH1A1
SCHEMBL3514146 0.82 SRC (0.52) SRCEPHX1CYP2D6CYP2C19
SCHEMBL5153770 0.82 SRC (0.52) SRCEPHX1CYP2D6CYP2C19
SCHEMBL11211519 0.82 SRC (0.69) SRCPTPN1PTPN6PTPN11ALDH1A1
Hydrochloric Acid SCHEMBL28043659 0.82 SRC (0.52) SRCEPHX1CYP2D6CYP2C19CA12

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-2116545-A1 Process for preparing cefsulodin sodium IDEXX LABORATORIES, INC. (US) 2009-11-11 EP disclosed