SCHEMBL7951097

SCHEMBL7951097

CCOC(=O)C(CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
REN P00797 2/20 0.39
ABCB11 O95342 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL5346764 0.84 SMN1; SMN2 (0.46) ACELMNAMEN1KMT2AUSP2
SCHEMBL901542 0.82 MME (0.45) ACELMNASMN1; SMN2ABCB11
SCHEMBL901541 0.82 MME (0.45) ACELMNASMN1; SMN2ABCB11
SCHEMBL15101628 0.82 MME (0.45) ACELMNASMN1; SMN2ABCB11
SCHEMBL10834301 0.81 ACE (0.55) ACELMNAMEN1KMT2AUSP2
SCHEMBL2557885 0.81 ACE (0.55) ACELMNAMEN1KMT2AUSP2
SCHEMBL6159155 0.81 ACE (0.55) ACELMNAMEN1KMT2AUSP2
Proline SCHEMBL7375209 0.79 ACE (0.38) ACELMNAMEN1KMT2AUSP2
Proline SCHEMBL5823940 0.79 ACE (0.38) ACELMNAMEN1KMT2AUSP2
SCHEMBL14423532 0.78 SMN1; SMN2 (0.48) ACELMNAMEN1KMT2AUSP2

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-6271393-B1 Process for producing N2-(1(S)-carboxy-3-phenylpropyl)-L-lysyl-L-proline KANEKA CORPORATION (JP) 2001-08-07 US disclosed