SCHEMBL4413010

SCHEMBL4413010

COC(Cc1ccccc1)(OC(Cc1ccccc1)(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNN4 O15554 1/20 0.38
KIF11 P52732 2/20 0.37
KCNA5 P22460 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.35
LTA4H P09960 1/20 0.35
TRPA1 O75762 1/20 0.35
CES1 P23141 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1505807 0.92 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL27537772 0.79 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL2785385 0.79 KCNA5 (0.40) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL29548659 0.76 KCNN4 (0.38) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL3663149 0.76 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL7166697 0.75 RXRA (0.48) KCNN4CES1SMN1; SMN2
SCHEMBL765190 0.75 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL11409113 0.74 KCNN4 (0.43) TAAR1LMNAKCNN4MAPK1CES1
SCHEMBL8072762 0.74 KCNN4 (0.43) TAAR1LMNAKCNN4MAPK1CES1
SCHEMBL16144806 0.72 KCNN4 (0.42) TAAR1LMNAKCNN4KIF11CYP3A4

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-1620451-A4 INDUSTRIALLY SCALABLE NUCLEOSIDE SYNTHESIS NOVARTIS AG (CH) 2009-02-18 EP disclosed
EP-1620451-A2 INDUSTRIALLY SCALABLE NUCLEOSIDE SYNTHESIS Idenix (Cayman) Limited (KY) 2006-02-01 EP disclosed
WO-2004096149-A2 INDUSTRIALLY SCALABLE NUCLEOSIDE SYNTHESIS IDENIX (CAYMAN) LIMITED (KY) 2004-11-11 WO disclosed