SCHEMBL7616231

SCHEMBL7616231

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.42
ACHE P22303 7/20 0.41
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.40
CTSK P43235 1/20 0.39

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
SCHEMBL459574 0.93 EPHX1 (0.47) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL459573 0.93 EPHX1 (0.47) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL476725 0.93 EPHX1 (0.47) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
Hydrochloric Acid SCHEMBL10476064 0.92 EPHX1 (0.46) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL2494231 0.88 EPHX1 (0.55) SMN1; SMN2NPC1RAB9AEPHX1ACHE
SCHEMBL2494230 0.88 EPHX1 (0.55) SMN1; SMN2NPC1RAB9AEPHX1ACHE
SCHEMBL16124602 0.87 EPHX1 (0.58) SMN1; SMN2NPC1RAB9AEPHX1ACHE
SCHEMBL7770681 0.87 EPHX1 (0.58) SMN1; SMN2NPC1RAB9AEPHX1ACHE
SCHEMBL16124605 0.87 EPHX1 (0.58) SMN1; SMN2NPC1RAB9AEPHX1ACHE
SCHEMBL7770680 0.87 EPHX1 (0.58) SMN1; SMN2NPC1RAB9AEPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833837-B1 PROCESS FOR PREPARING DERIVATIVES OF AZABICYCLO NAPHTHYRIDINE CARBOXYLIC ACID COMPRISING A DIPEPTIDE PFIZER (US) 2002-07-31 EP disclosed