SCHEMBL27769332

SCHEMBL27769332

CCC(=O)OCC(C(=O)Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 1/20 0.41
GAA P10253 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNQ2 O43526 1/20 0.39
PPARA Q07869 1/20 0.39
MMP8 P22894 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL22418886 0.83 GLS (0.46) LMNAHSD17B10CHRM1GAAKDM4E
SCHEMBL19275401 0.81 CA12 (0.50) LMNACHRM1ELANEKDM4ECYP1A2
SCHEMBL818912 0.80 GAA (0.43) LMNAHSD17B10GAAKDM4ECYP1A2
SCHEMBL819824 0.80 GLS (0.46) LMNAHSD17B10CHRM1CYP1A2CYP2D6
SCHEMBL4352840 0.78 LMNA (0.52) LMNACHRM1KDM4ECYP1A2CYP2D6
SCHEMBL27686619 0.78 CYP1A2 (0.43) LMNACYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL16820449 0.77 LMNA (0.56) LMNAHSD17B10GAASMN1; SMN2NPSR1
SCHEMBL6410341 0.77 LMNA (0.56) LMNAHSD17B10GAASMN1; SMN2NPSR1
SCHEMBL582647 0.77 LMNA (0.56) LMNAHSD17B10GAASMN1; SMN2NPSR1
SCHEMBL27808237 0.77 SCN4A (0.49) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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
CN-101636378-A Malonamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-27 CN disclosed