SCHEMBL2174549

SCHEMBL2174549

COC(=O)[C@@H](C)Oc1cccc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALDH2 P05091 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
OGG1 O15527 1/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK7 P49862 1/20 0.41
UNG P13051 1/20 0.41
MEN1 O00255 2/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL1949658 1.00 SRC (0.47) SRCPOLBALDH1A1ALDH2NPC1
SCHEMBL29342586 0.85 L3MBTL1 (0.50) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL4298184 0.84 GAA (0.51) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL1409135 0.84 GAA (0.51) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL2930425 0.84 GAA (0.51) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL3066413 0.84 SRC (0.44) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL2552258 0.83 ALDH1A1 (0.48) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL2556133 0.83 SRC (0.49) SRCPOLBALDH1A1NPC1RAB9A
SCHEMBL7835396 0.82 ALDH1A3 (0.59) POLBALDH1A1ALDH2KMT2AMAPT
SCHEMBL2560494 0.82 OGG1 (0.47) SRCPOLBALDH1A1NPC1RAB9A

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
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed