SCHEMBL10384301

SCHEMBL10384301

CCOC(=O)[C@H](CSCCSC1CCCC1)N[C@@H](C)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 0.58
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ REN P00797 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PEPD P12955 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL10383741 1.00 ACE (0.58) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL10383735 0.99 ACE (0.58) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL10383739 0.99 ACE (0.58) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL10384147 0.92 ACE (0.49) ACELMNASMN1; SMN2PEPD
SCHEMBL10384148 0.92 ACE (0.49) ACELMNASMN1; SMN2PEPD
SCHEMBL10384056 0.91 ACE (0.48) ACELMNASMN1; SMN2PEPD
SCHEMBL10384057 0.91 ACE (0.48) ACELMNASMN1; SMN2PEPD
SCHEMBL10384060 0.88 ACE (0.59) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL10384058 0.88 ACE (0.59) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL10796212 0.87 ACE (0.60) ACELMNASMN1; SMN2RENKDM4E

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-4977179-A Inhibiting angiotensin converting enzyme OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-12-11 — — US claimed
US-4977179-A Inhibiting angiotensin converting enzyme OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-12-11 — — US disclosed
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