SCHEMBL27721990

SCHEMBL27721990

N[C@H](CS(=O)(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.49
SCN4A P35499 3/20 0.47
SRC P12931 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 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
SCHEMBL2486785 1.00 GBA1 (0.49) GBA1SCN4ASRCALDH1A1CYP2C19
SCHEMBL8526440 0.83 GBA1 (0.52) GBA1SCN4ADPP4F2
SCHEMBL17287844 0.83 GBA1 (0.52) GBA1SCN4ADPP4F2
SCHEMBL6422777 0.81 PTGS1 (0.50) SCN4AALDH1A1
SCHEMBL2935549 0.80 SRC (0.48) GBA1SRCALDH1A1CYP2C19
SCHEMBL27700349 0.80 TACR1 (0.43) GBA1SRCALDH1A1CYP2C19DPP4
SCHEMBL6034394 0.80 GABBR2 (0.42) GBA1DPP4F2
SCHEMBL6032624 0.80 GABBR2 (0.64) SCN4ACYP2C19
SCHEMBL6033113 0.80 GABBR2 (0.42) DPP4F2
SCHEMBL6033150 0.80 GABBR2 (0.42) GBA1ALDH1A1F2

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
CN-101148427-B Method for preparing substituted taurine UNIV BEIJING 2010-10-27 CN disclosed
CN-101148427-A Method for preparing substituted taurine UNIV BEIJING (CN) 2008-03-26 CN disclosed