SCHEMBL6865702

SCHEMBL6865702

c1ccc(-c2ccccc2OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KCNA3 P22001 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 2/20 0.40
BCHE P06276 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PGR P06401 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1D P28221 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL31556331 0.92 HTR1B (0.48) HTR1BALDH1A1KDM4EGAAL3MBTL1
SCHEMBL1449787 0.92 HTR1B (0.48) HTR1BALDH1A1KDM4EGAAL3MBTL1
SCHEMBL8487339 0.89 TNF (0.41) HTR1BALDH1A1KDM4EGAAMAPT
SCHEMBL10929913 0.82 KCNA3 (0.51) HTR1BALDH1A1KDM4EGAAMAPT
SCHEMBL13839607 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL21381123 0.81 KCNA3 (0.46) HTR1BALDH1A1KDM4EGAAMAPT
SCHEMBL8956096 0.81 ALDH1A1 (0.52) HTR1BALDH1A1KDM4EGAAKCNA3
SCHEMBL1604278 0.80 HTR1B (0.43) HTR1BALDH1A1KDM4EGAAMAPT
SCHEMBL9328250 0.80 HTR1B (0.43) HTR1BALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13839483 0.78 CDC25B (0.50) ALDH1A1KDM4EGAAL3MBTL1HPGD

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
EP-1383718-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP Assets B.V. (NL) 2004-01-28 EP disclosed
WO-2002083605-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS B.V. (NL) 2002-10-24 WO disclosed