SCHEMBL13535100

SCHEMBL13535100

BC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.39
▸ ACE P12821 4/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL14599866 1.00 MME (0.39) MMEACECA2CTRB1PSMB1
SCHEMBL8769837 0.87 CTRB1 (0.48) CA2CTRB1PSMB1PSMB5PSMB2
SCHEMBL2059402 0.81 ATM (0.57) ACE
SCHEMBL8947270 0.81 ATM (0.57) ACE
SCHEMBL8481817 0.81 ATM (0.57) ACE
SCHEMBL3105737 0.79 LTA4H (0.46) MMEACE
SCHEMBL13535097 0.79 TRPA1 (0.51) MMEACECYP3A4MAPK1
SCHEMBL13535103 0.79 SLC15A1 (0.44) MMEACECTRB1
SCHEMBL4960427 0.77 MME (0.46) MMEACECA2CYP3A4
SCHEMBL3798364 0.77 MME (0.46) MMEACECA2CYP3A4

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
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