SCHEMBL5300535

SCHEMBL5300535

COC(=O)NCCCC(=O)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 5/20 0.55
HDAC1 Q13547 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CTNNB1 P35222 2/20 0.51
WNT3A P56704 2/20 0.51
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 1/20 0.48
MCL1 Q07820 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL668303 0.81 LMNA (0.65) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL29081345 0.81 HPGD (0.55) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL5101292 0.80 HPGD (0.69) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL9047740 0.80 HPGD (0.69) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL22721189 0.79 ALDH1A1 (0.83) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL2516127 0.78 LMNA (0.75) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL27611242 0.78 HPGD (0.69) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL21834838 0.77 LMNA (0.54) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL3176357 0.76 LMNA (0.71) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL29351863 0.76 MEN1 (0.61) LMNAALDH1A1RAB9AMEN1KMT2A

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-2007011910-A2 CHIRAL AMINE-CATALYZED ASYMMETRIC ADDITION OF CARBON-CENTERED NUCLEOPHILES TO IMINES TRUSTEES OF BOSTON UNIVERSITY (US) 2007-01-25 WO disclosed