SCHEMBL533925

SCHEMBL533925

CCCCOC(=O)N1CCC(=O)C(C(=O)OCC)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL10654584 0.91 MAPT (0.46) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2479999 0.90 LMNA (0.45) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29980794 0.89 LMNA (0.47) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
Ethylene SCHEMBL10653813 0.88 MAPT (0.43) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9310424 0.85 MAPT (0.38) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL10654314 0.84 MAPT (0.43) LMNAALDH1A1L3MBTL1HPGDMAPT
SCHEMBL1895618 0.82 LMNA (0.43) LMNAPOLBSMN1; SMN2KDM4EHRH2
SCHEMBL31454859 0.82 ALDH1A1 (0.42) LMNAPOLBALDH1A1L3MBTL1ATM
Ethylene SCHEMBL10844325 0.82 MAPT (0.41) LMNAALDH1A1L3MBTL1HPGDMAPT
SCHEMBL29574427 0.81 SMN1; SMN2 (0.42) LMNAPOLBSMN1; SMN2ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925741-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
WO-2014078609-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed