SCHEMBL29186

SCHEMBL29186

CCC=C(C)C(=O)ONC(=O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 9/20 0.40
RAB9A P51151 4/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL7752796 0.81 ALDH1A1 (0.54) ALDH1A1EPHX1ATMACHERAB9A
SCHEMBL374983 0.81 ALDH1A1 (0.54) ALDH1A1EPHX1ATMACHERAB9A
Pentadecane SCHEMBL27714673 0.78 TSHR (0.55) ALDH1A1EPHX1ATMNPSR1HPGD
SCHEMBL8665886 0.78 TSHR (0.35) ALDH1A1MAPTTSHR
SCHEMBL7256932 0.78 ALDH1A1 (0.59) ALDH1A1EPHX1ATMACHERAB9A
SCHEMBL375532 0.76 TSHR (0.56) ALDH1A1EPHX1ATMNPSR1HPGD
SCHEMBL10620372 0.76 TSHR (0.56) ALDH1A1EPHX1ATMNPSR1HPGD
SCHEMBL21483476 0.76 FAAH (0.43) EPHX1ATMMAPTNPSR1TSHR
SCHEMBL11210580 0.76
SCHEMBL11147692 0.75 TRPV1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558930-A1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES Novartis AG (CH) 2019-10-30 EP disclosed
EP-3481799-A1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES Novartis AG (CH) 2019-05-15 EP disclosed
WO-2018116203-A1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES NOVARTIS AG (CH) 2018-06-28 WO disclosed
WO-2018007919-A1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES NOVARTIS AG (CH) 2018-01-11 WO disclosed
EP-2609071-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025502-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS NOVARTIS AG (CH) 2012-03-01 WO disclosed