SCHEMBL5310588

SCHEMBL5310588

COc1cc(CNC(=O)O)ccc1NS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5718743 0.84
SCHEMBL2952173 0.81 KDM4E (0.47) ALDH1A1
SCHEMBL301527 0.80 LMNA (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2936661 0.79 ALDH1A1 (0.78) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15957207 0.79 LMNA (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5528162 0.78 TRPV1 (0.72)
SCHEMBL5315236 0.78
SCHEMBL2959317 0.77 KDM4E (0.44) ALDH1A1
Trifluoroacetic Acid SCHEMBL5315234 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL297477 0.77 ALDH1A1 (0.64) ALDH1A1MEN1KMT2A

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-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed