SCHEMBL7420852

SCHEMBL7420852

CCC(C)C(NC(=O)O)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 5/20 0.52
CTRC Q99895 5/20 0.52
MME P08473 4/20 0.49
ACE P12821 4/20 0.49
CPA1 P15085 4/20 0.49
ACE2 Q9BYF1 4/20 0.49
REN P00797 6/20 0.46
GPR132 Q9UNW8 2/20 0.46
PGA5 P0DJD9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KLKB1 P03952 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL7414303 0.93 CMA1 (0.52) CMA1CTRCMMEACECPA1
SCHEMBL9421813 0.85 MME (0.48) CMA1CTRCMMEACECPA1
SCHEMBL7420320 0.82 REN (0.50) MMEACECPA1ACE2REN
SCHEMBL8736216 0.78 CTSD (0.53) CMA1MMEACECPA1ACE2
SCHEMBL7421246 0.75 GPR132 (0.44) RENGPR132ALDH1A1TSHR
SCHEMBL7425178 0.75 GPR132 (0.44) GPR132ALDH1A1TSHR
SCHEMBL7417968 0.75 GPR132 (0.44) RENGPR132ALDH1A1TSHR
SCHEMBL8364492 0.75 CTSD (0.48) CMA1RENPGA5
SCHEMBL7418725 0.74 MME (0.46) MMEACECPA1ACE2
SCHEMBL8945318 0.73 CTSD (0.46) CMA1MMEACECPA1ACE2

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
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO claimed