SCHEMBL9268656

SCHEMBL9268656

Cc1ccc(CC(O)=S)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRC P12931 1/20 0.41
PYCR1 P32322 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1614227 0.80 NOX1 (0.43) LMNAHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL1257788 0.79 SRC (0.62) RAB9ANPC1MEN1KMT2ASRC
SCHEMBL11279235 0.79 PYCR1 (0.40) RAB9ANPC1TP53TDP1MEN1
SCHEMBL3031232 0.78 TP53 (0.44) RAB9ANPC1TP53TDP1MEN1
Hydrochloric Acid SCHEMBL2530248 0.78 SRC (0.61) RAB9ANPC1MEN1KMT2ASRC
SCHEMBL18780401 0.78 TAAR1 (0.42) RAB9ANPC1TP53TDP1MEN1
SCHEMBL14729157 0.77 NPC1 (0.46) RAB9ANPC1TP53TDP1MEN1
SCHEMBL10456035 0.75 TP53 (0.41) RAB9ANPC1TP53TDP1MEN1
SCHEMBL1257786 0.75 NPSR1 (0.45) RAB9ANPC1TP53TDP1MEN1
SCHEMBL17562017 0.75 TP53 (0.41) RAB9ANPC1TP53TDP1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405873-A Antilipemic, anticholesterol agents; treating arterio-sclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-04-11 US disclosed
EP-0587430-A1 Substituted acetamide derivatives for treatment of hypocholesterolaemia, hyperlipaemia and arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-03-16 EP disclosed