SCHEMBL2628149

SCHEMBL2628149

Bc1ccc2c(c1)OCCCC2=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.51
MAOA P21397 2/20 0.51
GRM5 P41594 9/20 0.44
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.36
PRKCI P41743 1/20 0.35

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
SCHEMBL2631777 0.89 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL7962215 0.86 MAOB (0.40) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL29676831 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30038594 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL989822 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL11065204 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL6209577 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL29756757 0.79 MAOB (0.81) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL20165294 0.79 MAOB (0.81) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL915230 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1

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-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed