SCHEMBL29184

SCHEMBL29184

CCCCOC(=O)NC(CC)=C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.43
ACHE P22303 12/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 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
SCHEMBL6688608 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1ACHEL3MBTL1ATM
SCHEMBL8607585 0.82 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNA
SCHEMBL590532 0.78 EPHX1 (0.59) ALDH1A1EPHX1ACHEATMTSHR
SCHEMBL11627977 0.76 ALDH1A1 (0.58) ALDH1A1EPHX1ACHEATMTSHR
SCHEMBL590531 0.76 EPHX1 (0.53) ALDH1A1EPHX1ACHEATMTSHR
SCHEMBL7772110 0.74 ALDH1A1 (0.56) ALDH1A1EPHX1ACHEL3MBTL1ATM
SCHEMBL7772117 0.74 ALDH1A1 (0.56) ALDH1A1EPHX1ACHEL3MBTL1ATM
SCHEMBL7772620 0.74 ALDH1A1 (0.56) ALDH1A1EPHX1ACHEL3MBTL1ATM
SCHEMBL2062628 0.74 FNTA (0.49) ALDH1A1TSHR
SCHEMBL9197261 0.74 EPHX1 (0.55) ALDH1A1EPHX1ACHEATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10031305-A None JP disclosed
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
JP-H1031305-A PHOTOSENSITIVE COMPOSITION OKAMOTO KAGAKU KOGYO KK 1998-02-03 JP disclosed