SCHEMBL4743467

SCHEMBL4743467

CCc1ccc(CBr)cc1OCCCOC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
BIRC5 O15392 1/20 0.37
REN P00797 8/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LTB4R Q15722 1/20 0.35
SLC6A4 P31645 2/20 0.35
HTR1A P08908 1/20 0.35
USP2 O75604 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL3977247 0.84 L3MBTL1 (0.41) L3MBTL1MAPTHPGDATMREN
SCHEMBL15599712 0.84 CSNK2A1 (0.45) L3MBTL1MAPTHPGDATMREN
SCHEMBL3077526 0.81 BIRC5 (0.47) L3MBTL1MAPTHPGDATMBIRC5
SCHEMBL8904417 0.81 REN (0.43) REN
SCHEMBL8904414 0.81 REN (0.43) REN
SCHEMBL3081718 0.81 SLC6A4 (0.50) L3MBTL1MAPTHPGDBIRC5REN
SCHEMBL4640254 0.81 KDM4E (0.45) L3MBTL1MAPTHPGDATMNPSR1
SCHEMBL1039963 0.81 REN (0.48) L3MBTL1MAPTHPGDREN
SCHEMBL3979694 0.81 TSHR (0.41) L3MBTL1MAPTHPGDBIRC5REN
SCHEMBL7954853 0.79 TAAR1 (0.42)

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
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed