SCHEMBL1503279

SCHEMBL1503279

OCc1c(O)cncc1COCCc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ELOVL1 Q9BW60 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
P2RX7 Q99572 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL30954801 0.83 PTGS1 (0.39) P2RX7SLC5A1SLC5A2CYP11B1CYP11B2
SCHEMBL30954800 0.78 DAO (0.39) DAO
SCHEMBL4306646 0.76 HCAR2 (0.35) HCAR2
SCHEMBL1503195 0.74 HCAR2 (0.36) HCAR2ADRB2ADRB1
SCHEMBL15746682 0.71 KDM4E (0.48) L3MBTL1KDM4EPTGS1PTGS2
SCHEMBL30954803 0.70 MAPT (0.45) L3MBTL1KDM4E
SCHEMBL28367193 0.67 TAAR1 (0.54) ELOVL1PTGS1PTGS2
SCHEMBL321367 0.66 TAAR1 (0.45) PTGS1PTGS2
SCHEMBL28791544 0.65 L3MBTL1 (0.42) L3MBTL1HCAR2PTGS1PTGS2
SCHEMBL1503228 0.64 MAOB (0.43)

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
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed