SCHEMBL8024702

SCHEMBL8024702

OCCCCCc1cccc2c1O2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.38
TBXAS1 P24557 2/20 0.34
LIPG Q9Y5X9 1/20 0.33
AHR P35869 1/20 0.33
BID P55957 4/20 0.32
MCL1 Q07820 4/20 0.32
BCL2L1 Q07817 3/20 0.32
BAK1 Q16611 3/20 0.32
KAT8 Q9H7Z6 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
SCHEMBL11174190 0.84 AHR (0.38) MTNR1AAHR
SCHEMBL29432879 0.81 LIPG (0.49) MTNR1ALIPGBIDMCL1BCL2L1
SCHEMBL7054345 0.81 LIPG (0.49) MTNR1ALIPGBIDMCL1BCL2L1
SCHEMBL18153979 0.81 LIPG (0.49) MTNR1ALIPGBIDMCL1BCL2L1
SCHEMBL28222763 0.79 LIPG (0.46) MTNR1ALIPGBIDMCL1BCL2L1
SCHEMBL27483096 0.77 MTNR1A (0.41) MTNR1ALIPGBIDMCL1BCL2L1
SCHEMBL2178352 0.75 LIPG (0.47) TBXAS1LIPGBIDMCL1BCL2L1
SCHEMBL6258218 0.75 AHR (0.43) MTNR1AAHR
SCHEMBL5587846 0.74 ALOX5 (0.44) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL5587771 0.74 ALOX5 (0.44) LIPGBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932601-A4 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2000-02-02 EP disclosed
EP-0932601-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
WO-1998008812-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed