SCHEMBL8045385

SCHEMBL8045385

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
VDR P11473 1/20 0.40
CA1 P00915 5/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
UCHL1 P09936 1/20 0.35
AKR1C3 P42330 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
SCHEMBL8045571 1.00 CA2 (0.45) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8429983 0.89 CA2 (0.47) CA2ALDH1A1CA1LMNAL3MBTL1
SCHEMBL8036381 0.89 CA2 (0.42) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8048127 0.89 CA2 (0.42) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL20968996 0.83 ALDH1A1 (0.47) CA2ALDH1A1F2MAPTCA1
SCHEMBL5159692 0.83 ALDH1A1 (0.47) CA2ALDH1A1F2MAPTCA1
SCHEMBL30631950 0.83 CA2 (0.44) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8053493 0.83 CA2 (0.42) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8046710 0.83 CA2 (0.42) CA2ALDH1A1KDM4EF2MAPT
SCHEMBL8430250 0.82 CA12 (0.43) CA2ALDH1A1KDM4EMAPTCA1

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