SCHEMBL9658402

SCHEMBL9658402

CC(C)(C)OC(=O)NC(C=CC(C(=O)O)C1CCCCC1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.49
ATM Q13315 3/20 0.48
KMT2A Q03164 3/20 0.48
ACE P12821 2/20 0.48
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.46
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
SCN9A Q15858 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
APP P05067 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
SCHEMBL9658400 1.00 REN (0.49) RENATMKMT2AACEMEN1
SCHEMBL12137049 0.84 ATM (0.61) RENATMKMT2AACEMEN1
SCHEMBL2736190 0.84 ATM (0.61) RENATMKMT2AACEMEN1
SCHEMBL9659216 0.79 ACE (0.56) RENATMKMT2AACEMEN1
SCHEMBL7323815 0.79 ACE (0.56) RENATMKMT2AACEMEN1
SCHEMBL7323810 0.79 ACE (0.56) RENATMKMT2AACEMEN1
SCHEMBL9659207 0.79 ACE (0.56) RENATMKMT2AACEMEN1
SCHEMBL11512962 0.79 ACE (0.62) ATMKMT2AACEMEN1MAPK1
SCHEMBL11374461 0.79 ACE (0.62) ATMKMT2AACEMEN1MAPK1
SCHEMBL23156370 0.79 ATM (0.56) RENATMKMT2AACEMEN1

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-5130468-A Process for the preparation of a dipeptide isostere ABBOTT LABORATORIES (US) 1992-07-14 US disclosed