SCHEMBL1043392

SCHEMBL1043392

O=C(O)C1(CCc2ccccn2)CCCC1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3787665 0.84 KCNA5 (0.42) HSD11B1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL6060766 0.72 HPGD (0.38) HSD11B1HPGDSMN1; SMN2L3MBTL1KDM4E
SCHEMBL3787614 0.71 HPGD (0.36) HSD11B1HPGDRECQLGAASMN1; SMN2
SCHEMBL1044264 0.70 L3MBTL1 (0.42) HSD11B1HPGDGAASMN1; SMN2CYP1A2
SCHEMBL20825349 0.68 HRH1 (0.47) HSD11B1GAASMN1; SMN2CYP1A2NPC1
SCHEMBL25867869 0.68 HRH3 (0.50) HSD11B1CYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL6060418 0.68 CYP1A2 (0.33) CYP1A2
SCHEMBL23881997 0.68 GAA (0.47) HSD11B1HPGDRECQLGAASMN1; SMN2
SCHEMBL31446462 0.65 PTPRA (0.47) GAASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL3988369 0.65 HPGD (0.49) HSD11B1HPGDRECQLGAASMN1; SMN2

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