SCHEMBL7387704

SCHEMBL7387704

CCC(C)OC(=O)C(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
MME P08473 2/20 0.51
ACE P12821 2/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL7322093 0.83 CTNNB1 (0.60) CTNNB1MMEACECPA1ACE2
SCHEMBL2386216 0.81 MAPT (0.46) MAPTALDH1A1PPARGPPARAMMP9
SCHEMBL2673397 0.81 MAPT (0.46) MAPTALDH1A1PPARGPPARAL3MBTL1
SCHEMBL4330321 0.81 MAPT (0.46) MMEACECPA1ACE2MAPT
SCHEMBL2673224 0.80 ALDH1A1 (0.46) MAPTALDH1A1PPARAKMT2A
SCHEMBL5972400 0.80 MAPT (0.45) MMEACECPA1ACE2MAPT
SCHEMBL7272663 0.80 CTNNB1 (0.75) CTNNB1MMEACECPA1ACE2
SCHEMBL335398 0.79 MAPT (0.51) MMEACECPA1ACE2MAPT
SCHEMBL2672961 0.78 MAPT (0.43) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL1030510 0.78 MAPT (0.40) MAPTKDM4EPPARGPPARAMMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055466-A Renin inhibitors E. R. SQUIBB & SONS, INC. (US) 1991-10-08 US disclosed
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 EP disclosed