SCHEMBL5559398

SCHEMBL5559398

C=CC(C)C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 4/20 0.33
DPP7 Q9UHL4 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17901794 0.82 SMN1; SMN2 (0.46) HPGDALDH1A1HTTGAAMEN1
SCHEMBL23718824 0.82 SMN1; SMN2 (0.46) HPGDALDH1A1HTTGAAMEN1
SCHEMBL7304374 0.80 HPGD (0.40) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL7346646 0.78 ALDH1A1 (0.41) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL9943963 0.76 ALDH1A1 (0.37) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL305560 0.76 ALDH1A1 (0.37) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL9019588 0.75 HPGD (0.42) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL2575910 0.74 ALDH1A1 (0.41) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL1106510 0.74 CHRNB2 (0.46) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL9019530 0.73 ALDH1A1 (0.44) HPGDALDH1A1HTTMMP1MMP2

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
WO-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed