SCHEMBL6680067

SCHEMBL6680067

CCOc1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
NQO1 P15559 1/20 0.58
RELA Q04206 1/20 0.55
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL431054 0.91 NQO1 (0.70) LTA4HNQO1RELATDP1TSHR
SCHEMBL3156508 0.86 LTA4H (0.50) LTA4HNQO1RELATDP1TSHR
SCHEMBL8885157 0.86 LTA4H (0.50) LTA4HNQO1RELATDP1CYP3A4
SCHEMBL2154346 0.84 LTA4H (0.57) LTA4HNQO1RELATDP1TSHR
SCHEMBL2154263 0.84 LTA4H (0.57) LTA4HNQO1RELATDP1TSHR
SCHEMBL19553639 0.83 LTA4H (0.51) LTA4HNQO1RELATDP1TSHR
SCHEMBL13428412 0.83 CYP3A4 (0.55) LTA4HTDP1CYP3A4MAPTNPC1
SCHEMBL21111781 0.82 LTA4H (0.55) LTA4HNQO1RELATDP1TSHR
SCHEMBL21111783 0.82 LTA4H (0.55) LTA4HNQO1RELATDP1TSHR
SCHEMBL6678264 0.82 CYP3A4 (0.52) LTA4HNQO1RELATDP1CYP3A4

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-2004048463-A1 POLYMERIC COMPOSITIONS RAPIDLY HEATABLE UNDER ELECTROMAGNETIC IRRADIATION, THEIR USES AND PROCESSING METHODS PARODI FABRIZIO (IT) 2004-06-10 WO claimed
WO-2004048463-A1 POLYMERIC COMPOSITIONS RAPIDLY HEATABLE UNDER ELECTROMAGNETIC IRRADIATION, THEIR USES AND PROCESSING METHODS PARODI FABRIZIO (IT) 2004-06-10 WO disclosed