SCHEMBL9464650

SCHEMBL9464650

CCOC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
EPHX2 P34913 1/20 0.52
TRPA1 O75762 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
P2RX7 Q99572 1/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL9464645 1.00 HTT (0.59) HTTSMN1; SMN2EPHX2TRPA1LMNA
SCHEMBL12156864 0.87 KMT2A (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4652134 0.86 HTT (0.61) HTTSMN1; SMN2EPHX2TRPA1LMNA
SCHEMBL27564141 0.85 HTT (0.56) HTTSMN1; SMN2TRPA1LMNAKDM4E
SCHEMBL13612866 0.84 LMNA (0.57) EPHX2LMNAALDH1A1L3MBTL1MEN1
SCHEMBL10143994 0.84 RAB9A (0.54) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12849869 0.84 RAB9A (0.54) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL13605093 0.83 NR1H4 (0.51) HTTSMN1; SMN2EPHX2LMNAALDH1A1
SCHEMBL2159283 0.82 HPGD (0.61) HTTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL27995512 0.82 MEN1 (0.45) LMNAMEN1KMT2A

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 US disclosed