SCHEMBL15074815

SCHEMBL15074815

CCCc1ccccc1P(CCCP(c1ccccc1OCC)c1ccccc1OCC)c1ccccc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.38
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
PPARD Q03181 1/20 0.35
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PLEC Q15149 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL8371903 0.87 ALDH1A1 (0.47) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL30680642 0.87 ALDH1A1 (0.47) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL10540535 0.84 ALDH1A1 (0.47) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL16405440 0.83 ALDH1A1 (0.41) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL16394145 0.81 ALDH1A1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1GAA
SCHEMBL15074768 0.80 ALDH1A1 (0.41) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL15074813 0.78 ALDH1A1 (0.42) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL15074817 0.78 CYP1A2 (0.44) L3MBTL1MAPTNPSR1SLC6A3ATM
SCHEMBL16405439 0.76 ALDH1A1 (0.43) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL4262567 0.75 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1SLC6A2

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-2013096631-A1 LIGANDS FOR RHODIUM CATALYZED REDUCTIVE CARBONYLATION OF ALCOHOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-27 WO disclosed