SCHEMBL8766491

SCHEMBL8766491

CC(CCN1CCC1=O)C(CCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
PKM P14618 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8767658 0.79 NPC1 (0.44) NPC1RAB9AKMT2AMEN1GPR55
SCHEMBL11513541 0.73 NPC1 (0.58) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL4317705 0.70 PKM (0.44) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL4314794 0.70 PKM (0.44) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL8767268 0.66 TRPA1 (0.41)
SCHEMBL2132367 0.65 L3MBTL1 (0.60) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL917005 0.64 L3MBTL1 (0.68) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL7389188 0.64 L3MBTL1 (0.73) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL8882276 0.63 L3MBTL1 (0.57) KDM4ETSHRNPC1RAB9AKMT2A
SCHEMBL5872163 0.63 L3MBTL1 (0.71) KDM4ENPC1RAB9AGAAL3MBTL1

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-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed