SCHEMBL8302432

SCHEMBL8302432

c1ccc(-c2cccc3c2Oc2ccccc2S3)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
PRKDC P78527 1/20 0.42
ADK P55263 1/20 0.39
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
NTSR1 P30989 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
AHR P35869 1/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32

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
SCHEMBL16786687 0.88 ATM (0.43) ATMPRKDCADKADRA2AADRA2B
SCHEMBL16787348 0.88 ATM (0.43) ATMPRKDCADKALDH1A1HSD17B10
SCHEMBL16787189 0.87 ATM (0.42) ATMPRKDCADKADRA2AADRA2B
SCHEMBL16787343 0.87 ATM (0.46) ATMPRKDCADKALDH1A1HSD17B10
SCHEMBL16787164 0.86 ATM (0.43) ATMPRKDCADKALDH1A1
SCHEMBL22706337 0.85 PRKDC (0.41) ATMPRKDCADK
SCHEMBL12490334 0.84 ATM (0.44) ATMPRKDCADKALDH1A1AHR
SCHEMBL12488705 0.84 ATM (0.44) ATMPRKDCADK
SCHEMBL12487451 0.82 ATM (0.45) ATMPRKDCADK
SCHEMBL12489912 0.82 PRKDC (0.43) ATMPRKDCADK

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
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003033671-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-24 WO disclosed