SCHEMBL2731646

SCHEMBL2731646

CCCCOC(=O)N1CCCC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GBA2 Q9HCG7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.38
DPP4 P27487 2/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
FKBP1A P62942 1/20 0.36
ACE P12821 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4202768 1.00 POLB (0.46) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL14144107 0.83 POLB (0.45) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL6860723 0.83 SMN1; SMN2 (0.45) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL27971973 0.83 POLB (0.45) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL5250880 0.81 POLB (0.44) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL2723323 0.81 LMNA (0.44) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL6207733 0.81 POLB (0.53) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL1982237 0.81 POLB (0.53) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL3982504 0.81 POLB (0.53) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL2634067 0.81 RAB9A (0.62) LMNASMN1; SMN2L3MBTL1ALDH1A1RAB9A

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-2632255-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058203-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed