SCHEMBL7694332

SCHEMBL7694332

NC(=O)C1CCCN1N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ELANE P08246 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2640855 0.98 AR (0.33) ARHPGDELANESMN1; SMN2
SCHEMBL1024623 0.96 EPHX1 (0.33) ARHPGDALDH1A1L3MBTL1KDM4E
SCHEMBL4963186 0.82 ACE (0.40) LMNA
SCHEMBL27718628 0.82 ACE (0.40) LMNA
SCHEMBL10905425 0.79 ACE (0.41) LMNA
SCHEMBL2860961 0.78 ALDH1A1 (0.39) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL16761709 0.78 L3MBTL1 (0.37) ALDH1A1L3MBTL1
SCHEMBL8175918 0.76 HTT (0.33) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL28769295 0.76 POLB (0.44) ALDH1A1LMNASMN1; SMN2
SCHEMBL11127735 0.72 POLB (0.44) SMN1; SMN2

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-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed