SCHEMBL20121051

SCHEMBL20121051

CC/C(C)=C/[C@@H](C)C(=O)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MAPT P10636 1/20 0.32
EPHX2 P34913 2/20 0.32

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
SCHEMBL20121295 0.84 MMP1 (0.35) MMP1MMP2MMP8HPGDTDP1
SCHEMBL7304374 0.72 HPGD (0.40) MMP1MMP2MMP8L3MBTL1HPGD
SCHEMBL1782242 0.72 TDP1 (0.36) TDP1ALDH1A1
SCHEMBL1782240 0.72 TDP1 (0.36) TDP1ALDH1A1
SCHEMBL7346646 0.71 ALDH1A1 (0.41) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL5559398 0.71 HPGD (0.39) MMP1MMP2MMP8L3MBTL1HPGD
SCHEMBL20121048 0.70 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL27651069 0.69 ALDH1A1 (0.40) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL18909852 0.69 EPHX2 (0.56) MMP1MMP2MMP8L3MBTL1EPHX2
SCHEMBL16435184 0.69 EPHX2 (0.56) MMP1MMP2MMP8L3MBTL1EPHX2

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-9963481-B2 Chiral oligomeric pentenoate amides as bio-oligomer mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-08 US disclosed