SCHEMBL11057100

SCHEMBL11057100

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.[KH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.62
▸ REN P00797 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ F2 P00734 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ LTA4H P09960 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ PEPD P12955 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ HRH1 P35367 1/20 0.62
▸ THPO P40225 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ ACE2 Q9BYF1 1/20 0.62
▸ DPP4 P27487 3/20 0.57
▸ FAP Q12884 2/20 0.57
▸ DPP7 Q9UHL4 2/20 0.57

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
SCHEMBL9164453 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL2115244 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL19824765 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL7271951 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL8316371 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL152403 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL593691 0.98 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL2115246 0.98 ACE (0.64) ACERENKDM4EF2LMNA
Hydrogen Sulfide SCHEMBL28780209 0.97 ACE (0.62) ACERENKDM4EF2LMNA
Water SCHEMBL11063395 0.97 ACE (0.62) ACERENKDM4EF2LMNA

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
US-4442030-A ARALKYLATION WITH BENZOYLACRYLIC ACID, HYDROGENATION, ESTERIFICATION MERCK & CO., INC. (US) 1984-04-10 — — US disclosed
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