SCHEMBL25080974

SCHEMBL25080974

CC(C)CCCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.47
CA2 P00918 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
NR1I2 O75469 1/20 0.43
RORA P35398 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RORB Q92753 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
FUT7 Q11130 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
ENPP2 Q13822 1/20 0.41
FDFT1 P37268 2/20 0.40

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
SCHEMBL17132575 0.89 RORC (0.49) RORCCA2NR1I2RORANR1H2
SCHEMBL10609457 0.84 CA2 (0.43) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B
SCHEMBL23555151 0.79 FUT7 (0.47) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B
SCHEMBL7337427 0.79 CA2 (0.48) CA2SMN1; SMN2KCNJ1KCNH2ENPP2
SCHEMBL7216900 0.79 CA2 (0.69) CA2SMN1; SMN2
SCHEMBL19650023 0.78 GRIN2D (0.41) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B
SCHEMBL1769854 0.78 GRIN2D (0.41) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B
SCHEMBL9420098 0.77 FUT7 (0.52) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B
SCHEMBL10609576 0.77 FUT7 (0.49) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B
SCHEMBL9927244 0.77 FUT7 (0.49) CA2SMN1; SMN2GRIN2DGRIN2AGRIN2B

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-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed