SCHEMBL1044264

SCHEMBL1044264

O=C(O)C1(CCc2ccccn2)CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HSD11B1 P28845 1/20 0.41
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPRA P18433 1/20 0.38
CPB2 Q96IY4 1/20 0.38
POLB P06746 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
SCHEMBL3788196 0.84 DDB1 (0.42) GAASMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL10798557 0.71 TACR3 (0.39) L3MBTL1HSD11B1HPGD
SCHEMBL15353048 0.71 DDB1 (0.40) L3MBTL1GAASMN1; SMN2PTPRACPB2
SCHEMBL1043392 0.70 HSD11B1 (0.43) L3MBTL1GAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL20825349 0.69 HRH1 (0.47) L3MBTL1GAASMN1; SMN2CYP1A2RAB9A
SCHEMBL8575486 0.69
SCHEMBL6060737 0.69 SIRT2 (0.33) CYP2C19POLB
SCHEMBL23881997 0.69 GAA (0.47) L3MBTL1GAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL18440292 0.67 TACR1 (0.44) L3MBTL1CYP2C19POLB
SCHEMBL6060679 0.66 SIRT2 (0.38) POLB

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-2272826-A1 2-mercaptopentancarboxylic acid derivatives, the method for preparing them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-01-12 EP disclosed
WO-2010149888-A1 DERIVATIVES OF 2-MERCAPTOCYCLOPENTANE CARBOXYLIC ACID, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2010-12-29 WO disclosed