SCHEMBL6917367

SCHEMBL6917367

CCC(=O)N(C(=O)CN)c1cccc(OC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 7/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
BCHE P06276 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL6912699 0.83 LMNA (0.43) CYP3A4LMNAKMT2AMEN1
SCHEMBL6907408 0.79 ALDH1A1 (0.49) CYP3A4LMNA
SCHEMBL26624253 0.78 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL6906982 0.77 LMNA (0.44) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL6907387 0.76 LMNA (0.45) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL11242342 0.75 KMT2A (0.56) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL6904457 0.74 LMNA (0.43) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL6909985 0.74 LMNA (0.47) CYP3A4LMNAACHEMTNR1AMTNR1B
SCHEMBL23060398 0.73 CETP (0.46)
SCHEMBL4410973 0.73 LMNA (0.56) CYP3A4LMNAACHEKMT2AMEN1

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
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed