SCHEMBL4381546

SCHEMBL4381546

CSc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)C=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
NOX1 Q9Y5S8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MT-CO2 P00403 1/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RCE1 Q9Y256 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
SLC6A4 P31645 2/20 0.31
USP30 Q70CQ3 1/20 0.31
PLK1 P53350 1/20 0.30

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
SCHEMBL4381548 1.00 GPR119 (0.35) GPR119NOX1ALDH1A1MT-CO2AKR1C3
SCHEMBL2791431 0.83 SMN1; SMN2 (0.39) ALDH1A1MT-CO2MAPTUSP30
SCHEMBL2791434 0.83 SMN1; SMN2 (0.39) ALDH1A1MT-CO2MAPTUSP30
SCHEMBL3989548 0.83 KMT2A (0.40) ALDH1A1MAPT
SCHEMBL8539792 0.83 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL4324062 0.82 TRPM8 (0.40) NOX1ALDH1A1KDM4EMAPTTAS1R3
SCHEMBL4324066 0.82 TRPM8 (0.40) NOX1ALDH1A1KDM4EMAPTTAS1R3
SCHEMBL10521236 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPT
SCHEMBL4330644 0.79 PPARG (0.37) KDM4EMAPTSLC6A4
SCHEMBL4330640 0.79 PPARG (0.37) KDM4EMAPTSLC6A4

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
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO disclosed