SCHEMBL3950301

SCHEMBL3950301

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1COc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
AR P10275 1/20 0.39
HTR1A P08908 4/20 0.38
HTR7 P34969 4/20 0.38
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
POLB P06746 1/20 0.34
ACLY P53396 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
DRD2 P14416 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
SCHEMBL3950238 0.85 MAPK1 (0.37) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL3949447 0.83 CTSL (0.41) CPT2CPT1ACPT1BHTR1AHTR7
SCHEMBL3947518 0.81 MMP2 (0.36) CPT2CPT1ACPT1BALDH1A1
SCHEMBL3954107 0.80 MCL1 (0.38) MEN1KMT2AALDH1A1MCL1
SCHEMBL3948717 0.78 CPT1A (0.46) CPT2CPT1ACPT1BGAAKMT2A
SCHEMBL3951883 0.76 L3MBTL1 (0.44) CPT2CPT1ACPT1BMEN1KMT2A
SCHEMBL3950223 0.74 FFAR4 (0.34) MEN1KMT2ALMNAPOLB
SCHEMBL3952247 0.73 FFAR4 (0.33) MEN1KMT2APOLB
SCHEMBL3955811 0.73 CPT2 (0.47) CPT2CPT1ACPT1BARHTR1A
SCHEMBL3948516 0.73 SCN3A (0.34) POLB

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-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed