SCHEMBL9268651

SCHEMBL9268651

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SRC P12931 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 2/20 0.41
PSMB5 P28074 2/20 0.40
PSMB8 P28062 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PYCR1 P32322 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL14729157 0.83 NPC1 (0.46) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL1257786 0.82 NPSR1 (0.45) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL4050941 0.82 NPC1 (0.45) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL1257788 0.82 SRC (0.62) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL1614225 0.81 P2RX7 (0.44) P2RX7TP53ALDH1A1
SCHEMBL2530247 0.80 P2RX7 (0.44) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL2702114 0.80 ICMT (0.45) NPC1RAB9ASRCMEN1KMT2A
Hydrochloric Acid SCHEMBL2530248 0.80 SRC (0.61) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL4681634 0.80 NPC1 (0.44) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL13091046 0.78 NPC1 (0.43) NPC1RAB9ASRCMEN1KMT2A

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