SCHEMBL20121295

SCHEMBL20121295

C/C(=C\[C@@H](C)C(=O)N1CCCC1)CCl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP7 Q9UHL4 3/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
GAA P10253 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
SCHEMBL20121051 0.84 MMP1 (0.36) MMP1MMP2MMP8ALDH1A1HPGD
SCHEMBL27175925 0.71 TSHR (0.33)
SCHEMBL7304374 0.71 HPGD (0.40) MMP1MMP2MMP8ALDH1A1HPGD
SCHEMBL14763929 0.71 TSHR (0.33)
SCHEMBL14763928 0.71 TSHR (0.33)
SCHEMBL16076460 0.71 TSHR (0.33)
SCHEMBL5559398 0.70 HPGD (0.39) MMP1MMP2MMP8ALDH1A1HPGD
SCHEMBL7346646 0.70 ALDH1A1 (0.41) MMP1MMP2MMP8ALDH1A1HPGD
SCHEMBL27651069 0.68 ALDH1A1 (0.40) MMP1MMP2MMP8ALDH1A1HPGD
SCHEMBL10472533 0.67

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