SCHEMBL4743479

SCHEMBL4743479

CCOCCCOc1cc(CBr)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 4/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 4/20 0.38
ATM Q13315 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CSNK2A1 P68400 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL10117589 0.86 SMN1; SMN2 (0.50) CYP4F2CYP4A11KDM4EL3MBTL1MAPT
SCHEMBL4805882 0.85 ALDH1A1 (0.41) KDM4ETHRBTDP1L3MBTL1MAPT
SCHEMBL3977128 0.84 L3MBTL1 (0.43) CYP4F2CYP4A11KDM4ETDP1L3MBTL1
SCHEMBL11949151 0.84 CSNK2A1 (0.53) CYP4F2CYP4A11KDM4EL3MBTL1MAPT
SCHEMBL6939626 0.84 CYP4F2 (0.51) CYP4F2CYP4A11MAPTRAB9APOLB
SCHEMBL8171563 0.81 L3MBTL1 (0.38) KDM4ETHRBTDP1L3MBTL1MAPT
SCHEMBL1345879 0.80 L3MBTL1 (0.47) CYP4F2CYP4A11KDM4EL3MBTL1MAPT
SCHEMBL10134991 0.75 CYP4F2 (0.40) CYP4F2CYP4A11KDM4EL3MBTL1MAPT
SCHEMBL30029152 0.73 ALDH1A1 (0.47) CYP4F2CYP4A11KDM4EL3MBTL1MAPT
SCHEMBL364121 0.73 ALDH1A1 (0.47) CYP4F2CYP4A11KDM4EL3MBTL1MAPT

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-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