SCHEMBL13620714

SCHEMBL13620714

CC(=O)c1ccc(C=O)cc1OCCc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
HTT P42858 1/20 0.41
FDPS P14324 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2C19 P33261 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
SCHEMBL18874197 0.81 MAOA (0.50) MAOBMAOAALOX5SMN1; SMN2ALDH1A1
SCHEMBL13620651 0.81 MAPT (0.57) MAOBMAOAALOX5SMN1; SMN2ALDH1A1
SCHEMBL18873955 0.79 MAOA (0.53) MAOBMAOASMN1; SMN2ALDH1A1MAPT
SCHEMBL18874312 0.75 MAOB (0.43) MAOBMAOAALOX5POLBNPC1
SCHEMBL1809412 0.72 MRGPRX4 (0.48) MAOBALOX5SIRT2FFAR4AKR1C3
SCHEMBL21118393 0.72 ALDH1A1 (0.47) MAOBMAOASMN1; SMN2ALDH1A1MAPT
SCHEMBL13621120 0.72 HTR2C (0.44) MAOBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL15041917 0.71 MAOA (0.47) MAOBMAOASMN1; SMN2ALDH1A1MAPT
SCHEMBL20079566 0.71 MAOA (0.62) MAOBMAOAALDH1A1
SCHEMBL1807096 0.71 ALOX5 (0.46) MAOBALOX5L3MBTL1NPC1RAB9A

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
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 EP disclosed
WO-2009135590-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-11-12 WO disclosed