SCHEMBL8413147

SCHEMBL8413147

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)OC(=O)/C=C\C(=O)OC(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ACE P12821 11/20 0.54
LMNA P02545 2/20 0.54
ABCB11 O95342 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
PDE3A Q14432 1/20 0.48
REN P00797 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
SCHEMBL4671537 0.88 ACE (0.61) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4671532 0.88 ACE (0.61) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL1221172 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4669890 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL3369452 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL3780597 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4669921 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL497515 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL28866775 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL2897972 0.84 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1

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-5977380-A Process for preparing N-[1- (S)-ethoxycarbonyl-3- phenylpropyl]-L-alanine derivatives EVERLIGHT USA, INC. (US) 1999-11-02 US disclosed
US-4508727-A Antihypertensive 2-oxo-imidazolidine derivatives TANABE SEIYAKU CO., LTD. (JP) 1985-04-02 US disclosed