SCHEMBL5136253

SCHEMBL5136253

COC(=O)[C@](OC)(c1ccccc1)S(=O)(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.53
SRC P12931 1/20 0.41
CES1 P23141 1/20 0.41
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL28297532 0.74 CES1 (0.44) KCNN4CES1PTPN2PTPN1PTPRA
SCHEMBL27940396 0.72 KCNN4 (0.43) KCNN4SRCCES1PTPN2PTPN1
SCHEMBL8657016 0.71 KCNN4 (0.64) KCNN4SRCCES1PTPN2PTPN1
SCHEMBL5580542 0.71 CES1 (0.69) KCNN4SRCCES1MEN1OPRM1
SCHEMBL7186114 0.71 KCNN4 (0.64) KCNN4SRCCES1MEN1OPRM1
SCHEMBL2419456 0.71 KCNN4 (0.64) KCNN4SRCCES1PTPN2PTPN1
SCHEMBL2562200 0.71 CES1 (0.40) KCNN4CES1KMT2ATSHRMAPK1
SCHEMBL342555 0.71 KCNN4 (0.64) KCNN4SRCCES1MEN1OPRM1
SCHEMBL3174356 0.70 KCNN4 (0.69) KCNN4SRCCES1MEN1OPRM1
Triphenylacetic Acid Methyl Ester SCHEMBL7258414 0.70 KCNN4 (1.00) KCNN4SRCCES1MEN1OPRM1

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-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO disclosed