SCHEMBL8138285

SCHEMBL8138285

O=C(O)Sc1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
MAOA P21397 1/20 0.46
GRM5 P41594 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A4 P31645 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
PLA2G10 O15496 1/20 0.33
MET P08581 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6592049 0.83 MAOB (0.50) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL56658 0.80 MAOB (0.46) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL1985123 0.80 MAOB (0.46) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL10720650 0.80 MAOB (0.46) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL1985752 0.80 MAOB (0.46) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL2074306 0.80 MAOB (0.46) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL6293635 0.78 ALDH1A1 (0.51) MAOBMAOAGRM5ALDH1A1NPC1
SCHEMBL6591192 0.77 MAOB (0.44) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL10363956 0.76 MAOB (0.43) MAOBMAOAGRM5SMN1; SMN2ALDH1A1
SCHEMBL10363838 0.76 MAOB (0.43) MAOBMAOAGRM5SMN1; SMN2ALDH1A1

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
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed