SCHEMBL14467009

SCHEMBL14467009

CCCOc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OCCC)cccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2A6 P11509 1/20 0.37
DRD1 P21728 2/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HIF1A Q16665 1/20 0.35
HTR1B P28222 2/20 0.35
TLR8 Q9NR97 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1D P28221 1/20 0.34
KCNA3 P22001 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
SCHEMBL15417591 0.87 ALDH1A1 (0.43) CYP1A2CYP2C19DRD1ATMCYP3A4
SCHEMBL30023141 0.87 ALDH1A1 (0.43) CYP1A2CYP2C19DRD1ATMCYP3A4
Bromide SCHEMBL30432008 0.87 CYP1A2 (0.40) MCHR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1835622 0.85 CYP1A2 (0.41) MCHR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10456909 0.80 CYP1A2 (0.51) MCHR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1752346 0.79 MAPT (0.51) TDP1MAPTL3MBTL1
SCHEMBL31479816 0.78 THRB (0.48) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29430119 0.78 CA1 (0.44) MEN1KMT2ADRD1CYP3A4TDP1
SCHEMBL29407955 0.78 CA1 (0.44) MEN1KMT2ADRD1CYP3A4TDP1
SCHEMBL301296 0.78 CA1 (0.44) MEN1KMT2ADRD1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007082928-A2 METHOD FOR PRODUCTION OF A RUTHENIUM CATALYST BASF SE (DE) 2007-07-26 WO disclosed