SCHEMBL3368988

SCHEMBL3368988

CCOC(=O)C(CC(=O)c1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.74
▸ LMNA P02545 2/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ ACE2 Q9BYF1 5/20 0.55
▸ ABCB11 O95342 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL10611510 1.00 ACE (0.74) ACELMNASMN1; SMN2ACE2ABCB11
SCHEMBL10974032 0.93 ACE (0.65) ACELMNASMN1; SMN2ACE2ABCB11
SCHEMBL10610279 0.89 ACE (0.60) ACELMNASMN1; SMN2ACE2ABCB11
SCHEMBL10971911 0.89 ACE (0.70) ACELMNASMN1; SMN2ACE2
Hydrochloric Acid SCHEMBL10611825 0.88 ACE (0.59) ACELMNASMN1; SMN2ACE2ABCB11
SCHEMBL10784326 0.86 ACE (0.66) ACELMNASMN1; SMN2ACE2ABCB11
SCHEMBL682328 0.86 ACE (0.83) ACELMNASMN1; SMN2ACE2ABCB11
SCHEMBL10783195 0.86 ACE (0.65) ACELMNASMN1; SMN2ACE2ABCB11
Trifluoroacetic Acid SCHEMBL10971638 0.86 ACE (0.70) ACELMNASMN1; SMN2ACE2ABCB11
Maleic Acid SCHEMBL10612014 0.85 SMN1; SMN2 (0.62) ACELMNASMN1; SMN2ACE2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679303-B1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative KANEKA CORP (JP) 2010-09-15 — — EP disclosed
EP-1679303-A1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative Kaneka Corporation (JP) 2006-07-12 — — EP disclosed
EP-0903337-B1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORP (JP) 2006-04-12 — — EP disclosed
US-6118010-A CATALYTIC REDUCTION OF THE 1-ALKOXYCARBONYL-3-OXO-3-PHENYLPROPYL DERIVATIVE KANEKA CORPORATION (JP) 2000-09-12 — — US disclosed
EP-0903337-A1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORPORATION (JP) 1999-03-24 — — EP disclosed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 — — US disclosed
US-4442030-A ARALKYLATION WITH BENZOYLACRYLIC ACID, HYDROGENATION, ESTERIFICATION MERCK & CO., INC. (US) 1984-04-10 — — US disclosed
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