SCHEMBL9773222

SCHEMBL9773222

CCCCCC[C@H](N[C@@H](C)C(=O)O)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.57
▸ NOD1 Q9Y239 4/20 0.47
▸ FAAH O00519 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.44
▸ GPR84 Q9NQS5 3/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ ZDHHC7 Q9NXF8 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ ZDHHC20 Q5W0Z9 1/20 0.42
▸ ZDHHC2 Q9UIJ5 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL7271357 1.00 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL7271367 1.00 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL9702204 1.00 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL9773243 1.00 ACE (0.57) ACENOD1FAAHACE2GPR84
Fumaric Acid SCHEMBL7270438 0.93 ACE (0.52) ACENOD1FAAHACE2GPR84
Maleic Acid SCHEMBL7270427 0.93 ACE (0.52) ACENOD1FAAHACE2GPR84
SCHEMBL300278 0.87 ACE (0.49) ACEKMT2A
SCHEMBL4650239 0.87 ACE (0.49) ACEKMT2A
SCHEMBL13482629 0.87 ACE (0.49) ACEKMT2A
SCHEMBL4458272 0.87 ACE (0.49) ACEKMT2A

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
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 — — US disclosed
EP-0338508-A2 Esters from amino-acids, their preparation process, drugs containing same and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-25 — — EP disclosed
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