SCHEMBL8046710

SCHEMBL8046710

CCc1ccc(S(=O)(=O)OC(=O)[C@@H](N)CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
LARS1 Q9P2J5 4/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
VDR P11473 1/20 0.38
CA1 P00915 4/20 0.37
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ATM Q13315 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL8053493 1.00 CA2 (0.42) CA2LARS1ALDH1A1KDM4EF2
SCHEMBL9592709 0.86 ALDH1A1 (0.47) CA2LARS1ALDH1A1KDM4EF2
SCHEMBL16464668 0.86 ALDH1A1 (0.47) CA2LARS1ALDH1A1KDM4EF2
SCHEMBL11024357 0.84 LARS1 (0.57) LARS1ANPEPRNPEPDNPEPSLC7A5
SCHEMBL8045571 0.83 CA2 (0.45) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8045385 0.83 CA2 (0.45) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL30631950 0.81 CA2 (0.44) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8036381 0.81 CA2 (0.42) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8048127 0.81 CA2 (0.42) CA2ALDH1A1KDM4EF2MAPT
Leucine SCHEMBL8045916 0.76 SLC7A5 (0.51) CA2LARS1ALDH1A1CA1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 US claimed
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 US disclosed