SCHEMBL7736849

SCHEMBL7736849

CC[C@@](Cc1ccc(NS(=O)(=O)CN)cc1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 11/20 0.48
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PTPRA P18433 1/20 0.37
ACP1 P24666 1/20 0.37
NR3C2 P08235 1/20 0.37
GHSR Q92847 5/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7742069 0.89 PTPRB (0.50) PTPRBPTPN2PTPN1PTPRAACP1
SCHEMBL2992285 0.83 PTPRB (0.40) PTPRBCA12CA1CA7CA14
SCHEMBL2982545 0.83 PTPRB (0.40) PTPRBCA12CA1CA7CA14
SCHEMBL7742081 0.81 PTPRB (0.42) PTPRBPTPN1LMNASMN1; SMN2
SCHEMBL7742079 0.81 PTPRB (0.42) PTPRBPTPN1LMNASMN1; SMN2
SCHEMBL3935734 0.76 PPARG (0.49) LMNASMN1; SMN2
SCHEMBL3935728 0.76 PPARG (0.49) LMNASMN1; SMN2
SCHEMBL7736843 0.74 PTPRB (0.47) PTPRBHTT
SCHEMBL2711160 0.74 CA12 (0.50) CA12CA1CA7CA14
SCHEMBL5146278 0.73 ITGB1 (0.47)

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
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed