SCHEMBL27643186

SCHEMBL27643186

CCCCCCCc1ccc(I)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.52
GPR3 P46089 1/20 0.50
HSD11B1 P28845 1/20 0.48
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
HTR2A P28223 1/20 0.45
RARB P10826 2/20 0.45
KAT8 Q9H7Z6 2/20 0.44
PPARA Q07869 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL27660755 0.95 PSMB5 (0.49) PSMB5GPR3HSD11B1LPLLIPG
SCHEMBL28059572 0.87 GPR3 (0.50) PSMB5GPR3HSD11B1LPLLIPG
SCHEMBL29111601 0.86 RARB (0.47) GPR3LPLLIPGHTR2ARARB
SCHEMBL27871892 0.84 HTR2A (0.49) GPR3LPLLIPGHTR2ARARB
SCHEMBL7443234 0.84 PSMB5 (0.52) PSMB5GPR3HSD11B1LPLLIPG
SCHEMBL14742534 0.84 BACE1 (0.45) PSMB5GPR3HSD11B1LPLLIPG
SCHEMBL28097794 0.83 BACE1 (0.62) PSMB5KAT8PPARA
SCHEMBL4373486 0.83 BACE1 (0.62) PSMB5KAT8PPARA
SCHEMBL27976452 0.83 BACE1 (0.62) PSMB5KAT8PPARA
SCHEMBL7897626 0.82 HSD11B1 (0.49) GPR3HSD11B1LPLLIPGHTR2A

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
CN-100475855-C Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 CN disclosed
CN-1860134-A Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES CO (US) 2006-11-08 CN disclosed