SCHEMBL6204484

SCHEMBL6204484

N#Cc1c(Cl)cccc1COc1cccc(C(=O)/C=C(\O)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
MRGPRX4 Q96LA9 4/20 0.46
TLR8 Q9NR97 1/20 0.43
GCK P35557 1/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
XDH P47989 1/20 0.38
HPD P32754 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL6206140 1.00 NR4A2 (0.54) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6206142 1.00 NR4A2 (0.54) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6204976 0.89 NR4A2 (0.50) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6204979 0.89 NR4A2 (0.50) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6204983 0.89 NR4A2 (0.50) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6205799 0.83 MRGPRX4 (0.48) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6205485 0.83 MRGPRX4 (0.48) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6205801 0.83 MRGPRX4 (0.48) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6206160 0.83 SPHK2 (0.50) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL6206165 0.83 SPHK2 (0.50) NR4A2NPC1RAB9ANR4A1NR4A3

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-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed