SCHEMBL5158250

SCHEMBL5158250

COc1ccc(Cc2ccccc2CP)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
MAOB P27338 1/20 0.47
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
NSD2 O96028 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ABCB1 P08183 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
SLC6A4 P31645 1/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL28251912 0.90 LTA4H (0.72) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL2027109 0.88 LTA4H (0.69) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL11289347 0.83 LTA4H (0.62) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL6542610 0.83 LTA4H (0.62) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL12869627 0.81 LTA4H (0.60) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL9232175 0.81 LTA4H (0.60) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL28131751 0.81 LTA4H (0.64) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL26949212 0.81 LTA4H (0.64) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL18613819 0.80 LTA4H (0.58) LTA4HMAOBCYP11B1CYP11B2L3MBTL1
SCHEMBL7282070 0.79 LTA4H (0.62) LTA4HMAOBL3MBTL1TDP1IDO1

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-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 WO disclosed