SCHEMBL13356265

SCHEMBL13356265

Cc1ccc2c(c1)[C@H]1CC(C)(N)CCC[C@@H]1N2Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 3/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
SRD5A2 P31213 1/20 0.37
RXRA P19793 2/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL13862077 0.88 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL13356207 0.88 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL13356274 0.88 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL13356232 0.84 KDM4E (0.40) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL13356267 0.82 GAA (0.41) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL10128038 0.79 HDAC6 (0.54) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL8034703 0.79 HDAC6 (0.54) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL8038336 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL13356272 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL13356268 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTKDM4EGAA

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
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed