SCHEMBL4742693

SCHEMBL4742693

O=[N+]([O-])c1ccccc1CCOP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CTSD P07339 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL4742682 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL12125185 0.88 ALDH1A1 (0.45) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL2232577 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL2232567 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL4747587 0.80 NPC1 (0.42) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL9150106 0.80 NPC1 (0.42) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL874591 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL7135820 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL4742687 0.78 ALDH1A1 (0.37) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL888133 0.77 ALDH1A1 (0.53) ALDH1A1TSHRHPGDNPC1RAB9A

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-2008095007-A1 HOLLOW MICROSPHERES PARTICLES BECKMAN COULTER, INC. (US) 2008-08-07 WO disclosed