SCHEMBL377136

SCHEMBL377136

O=C(O)N[C@]1(Cc2ccccc2)CC(=O)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
ADRB2 P07550 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL28466349 0.86 ESR1 (0.36) HTTLMNAL3MBTL1NPSR1ESR1
SCHEMBL3477103 0.77 ADRB2 (0.36) HTTL3MBTL1ESR1ESR2MEN1
SCHEMBL27715205 0.73 NPSR1 (0.49) HTTLMNAL3MBTL1NPSR1
SCHEMBL1399020 0.65 HTT (0.43) HTTLMNAMEN1KMT2AADRB2
SCHEMBL3717417 0.65 ADRB2 (0.58) HTTADRB2ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL28647728 0.65 ADRB2 (0.44) HTTMEN1KMT2ATSHRADRB2
SCHEMBL20630554 0.64 LMNA (0.42) HTTLMNAL3MBTL1NPSR1MEN1
SCHEMBL21895900 0.64 LMNA (0.42) HTTLMNAL3MBTL1NPSR1MEN1
SCHEMBL3618445 0.64 ADRB2 (0.65) HTTLMNAMEN1KMT2ATSHR
SCHEMBL19028118 0.63 ALDH1A1 (0.39) HTTLMNANPSR1MEN1KMT2A

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-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed