SCHEMBL11052819

SCHEMBL11052819

C[C@H](NCc1ccccc1O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.58
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ LTA4H P09960 3/20 0.47
▸ REN P00797 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PEPD P12955 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL6436563 0.86 ACE (0.65) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL6438290 0.86 ACE (0.65) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL6436560 0.86 ACE (0.65) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL6438293 0.86 ACE (0.65) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL19369794 0.82 ACE (0.53) ACELMNASMN1; SMN2LTA4HREN
SCHEMBL10659497 0.82 ACE (0.61) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL11102814 0.80 ACE (0.51) ACELMNASMN1; SMN2ACE2
SCHEMBL3472243 0.77 ACE (0.60) ACELMNASMN1; SMN2LTA4HREN
SCHEMBL13111774 0.75 ACE (0.80) ACELMNASMN1; SMN2ACE2
SCHEMBL7324491 0.75 ACE (0.62) ACELMNALTA4HRENKDM4E

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
JP-59227858-A — — None — — JP disclosed
JP-S59227858-A PROLINE DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1984-12-21 — — JP disclosed
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