SCHEMBL7694658

SCHEMBL7694658

CC(C)C(C1CN1CCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
OPRM1 P35372 3/20 0.42
OPRD1 P41143 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MCL1 Q07820 1/20 0.39
GBA1 P04062 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL7691972 0.79 GAA (0.46) GAAOPRM1HTR2AHTR2CKDM4E
SCHEMBL7694900 0.78 GAA (0.48) GAAOPRM1HTR2AHTR2CKDM4E
SCHEMBL7694378 0.78 GAA (0.48) GAAOPRM1HTR2AHTR2CKDM4E
SCHEMBL7693891 0.78 GAA (0.48) GAAOPRM1HTR2AHTR2CKDM4E
SCHEMBL7689654 0.77 SPHK2 (0.39) GAAOPRM1OPRD1KCNH2SIGMAR1
SCHEMBL7692426 0.74 SIGMAR1 (0.45) GAAOPRM1HTR2AHTR2CKDM4E
SCHEMBL7695220 0.74 GAA (0.39) GAAOPRM1OPRD1HTR2AHTR2C
SCHEMBL7694660 0.74 GAA (0.39) GAAOPRM1OPRD1HTR2AHTR2C
SCHEMBL28626856 0.72 HTR2A (0.42) HTR2AHTR2CKCNH2KDM4ETSHR
SCHEMBL28624735 0.72 HTR2A (0.42) HTR2AHTR2CKCNH2KDM4ETSHR

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
WO-2002012184-A1 PROCESS FOR PREPARING ALPHA-AMINO ACIDS AND THEIR DERIVATIVES INCLUDING PHENYLALANINE AND HOMOPHENYLALANINE AND THEIR INTERMEDIATES CHEMBIONEX CO., LTD. (KR) 2002-02-14 WO disclosed