SCHEMBL8940912

SCHEMBL8940912

CCOC1CCS(=O)(=O)c2c(C)cc(C(=O)c3cnn(CC)c3OS(=O)(=O)c3ccc(C)cc3)c(C)c21

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8303291 0.93 ALDH1A1 (0.31) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8400663 0.93
SCHEMBL6724234 0.90 ALDH1A1 (0.31) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8307889 0.87 GAA (0.31) GAA
SCHEMBL8308183 0.87 NPC1 (0.31) SMN1; SMN2
SCHEMBL8308195 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8940999 0.82 ALDH1A1 (0.32) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8941103 0.82 PDE4B (0.31) SMN1; SMN2
SCHEMBL8011989 0.82
SCHEMBL8307709 0.81

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
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed