SCHEMBL9006019

SCHEMBL9006019

CCCCOC(=O)N[C@@H](CI)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ACHE P22303 13/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP1 P29466 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2345217 1.00 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL4778608 0.87 CA1 (0.41) EPHX1ACHEALDH1A1
SCHEMBL1696818 0.86 CA1 (0.46) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL20683487 0.86 CA1 (0.46) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL2344660 0.85 EPHX1 (0.44) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL5199004 0.83 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL7372859 0.83 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL4727557 0.83 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL5782797 0.83 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL7453134 0.83 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A

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-3541789-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-09-25 EP disclosed
WO-2018093920-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2018-05-24 WO disclosed
EP-3298027-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Merial, Inc. (US) 2018-03-28 EP disclosed
WO-2016187534-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2016-11-24 WO disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 WO disclosed