SCHEMBL10487555

SCHEMBL10487555

CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)c1cc(C)cc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.48
LMNA P02545 2/20 0.48
ABCB11 O95342 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
REN P00797 1/20 0.44

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
SCHEMBL10493777 1.00 ACE (0.48) ACELMNAABCB11MEN1KMT2A
SCHEMBL10487559 1.00 ACE (0.48) ACELMNAABCB11MEN1KMT2A
SCHEMBL10866456 0.92 ACE (0.51) ACELMNAABCB11MEN1KMT2A
SCHEMBL8284096 0.84 ACE (0.48) ACELMNAABCB11MEN1KMT2A
SCHEMBL10493796 0.84 ACE (0.49) ACELMNAABCB11MEN1KMT2A
SCHEMBL10487574 0.83 ACE (0.47) ACELMNAABCB11MEN1KMT2A
SCHEMBL10487581 0.83 ACE (0.47) ACELMNAABCB11MEN1KMT2A
SCHEMBL10604351 0.81 ACE (0.51) ACELMNAABCB11MEN1KMT2A
SCHEMBL10493733 0.81 ACE (0.51) ACELMNAABCB11MEN1KMT2A
SCHEMBL10756676 0.81 ACE (0.51) ACELMNAABCB11MEN1KMT2A

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-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed