SCHEMBL5047175

SCHEMBL5047175

CCC(C)NC(=O)Oc1cc(-c2csc(COc3ccc(OC)cc3)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALOX5 P09917 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PLA2G2A P14555 1/20 0.35
GAA P10253 1/20 0.34
KCNQ1 P51787 4/20 0.34
BCHE P06276 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
SCHEMBL5044108 0.88 MAPT (0.40) PPARDPPARAMAPTRAB9ANPC1
SCHEMBL5043889 0.88 CDC25A (0.43) MAPTRAB9ANPC1POLBPLA2G2A
SCHEMBL5047852 0.82 PPARD (0.45) PPARDPPARAMAPTRAB9ANPC1
SCHEMBL5045076 0.81 MAPT (0.40) PPARDPPARAMAPTRAB9ANPC1
SCHEMBL4427086 0.79 PLA2G2A (0.42) RAB9ANPC1L3MBTL1PLA2G2AGAA
SCHEMBL4416088 0.79 PLA2G2A (0.42) RAB9ANPC1L3MBTL1PLA2G2AGAA
SCHEMBL5043686 0.78 HPGD (0.42) PPARDPPARAMAPTRAB9ANPC1
SCHEMBL5048735 0.78 CDC25A (0.45) PPARDPPARAMAPTRAB9ANPC1
SCHEMBL5048642 0.78 CDC25A (0.44) MAPTRAB9ANPC1POLBPLA2G2A
SCHEMBL5039634 0.77 MAPT (0.39) PPARDPPARAMAPTRAB9ANPC1

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-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed