SCHEMBL10824232

SCHEMBL10824232

CCOC(=O)C(C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)P(=O)(OCC)OCC)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
ACE P12821 2/20 0.50
CPA1 P15085 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSB P07858 1/20 0.45
F2 P00734 1/20 0.44
PPARG P37231 2/20 0.43
KLKB1 P03952 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
GPR34 Q9UPC5 1/20 0.43
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
EED O75530 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL11028528 0.86 F2 (0.58) MMP9MMP8CTSBF2HDAC8
SCHEMBL11126448 0.82 BCL2 (0.59) CTSBHDAC8
SCHEMBL11034687 0.80 MME (0.51) MMEACECPA1ACE2HDAC8
SCHEMBL12894592 0.77 LMNA (0.58) LMNAL3MBTL1PPARG
SCHEMBL282500 0.76 BCL2 (0.52) F2PPARGHDAC8
SCHEMBL10728394 0.74 MME (0.60) MMEACECPA1ACE2MMP9
SCHEMBL11126449 0.73 BCL2 (0.49) HDAC8
SCHEMBL10726106 0.73 MME (0.56) MMEACECPA1ACE2MMP9
SCHEMBL10723826 0.73 MME (0.58) MMEACECPA1ACE2MMP9
SCHEMBL10726089 0.73 MME (0.58) MMEACECPA1ACE2MMP9

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
JP-61036287-A None JP disclosed
JP-S6136287-A PHOSPHORUS-CONTAINING PEPTIDE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1986-02-20 JP disclosed