SCHEMBL22019573

SCHEMBL22019573

CCCCOC(=O)C(C)NC(=O)CNC(=O)CCCCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
PSMB5 P28074 3/20 0.46
GAA P10253 1/20 0.43
EPHX2 P34913 2/20 0.39
FAAH O00519 6/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
DGKA P23743 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A5 Q9Y345 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
SCHEMBL22018671 0.92 PSMB5 (0.53) RECQLPSMB5GAAFAAHMEN1
SCHEMBL22018851 0.88 PSMB5 (0.47) PSMB5GAAEPHX2FAAHMEN1
SCHEMBL27175504 0.86 PSMB5 (0.45) PSMB5GAAFAAHMEN1MAPK1
SCHEMBL19656332 0.82 RECQL (0.59) RECQLGAAEPHX2FAAHDGKA
SCHEMBL22064576 0.80 RECQL (0.56) RECQLPSMB5GAAFAAHMEN1
SCHEMBL18411703 0.80 RECQL (0.56) RECQLPSMB5GAAFAAHMEN1
SCHEMBL25122213 0.80 RECQL (0.53) RECQLPSMB5GAATSHR
SCHEMBL22987342 0.80 RECQL (0.53) RECQLPSMB5GAATSHR
SCHEMBL27175512 0.77 PSMB5 (0.38) PSMB5FAAHSMN1; SMN2
SCHEMBL7153526 0.77 FAAH (0.61) FAAHMEN1MAPK1KMT2A

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-2020102053-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2020-05-22 WO disclosed