SCHEMBL12480810

SCHEMBL12480810

CCNC(=O)/C(C)=C/C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL10758351 0.81
SCHEMBL14553254 0.77
SCHEMBL15502243 0.77
SCHEMBL909866 0.77
SCHEMBL27839071 0.74 ALDH1A1 (0.31)
SCHEMBL10759747 0.73
SCHEMBL26421001 0.73 TSHR (0.39) MMP1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL29176181 0.73 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP8
Dimethylamine SCHEMBL7729373 0.73 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP8
SCHEMBL24019904 0.72 MCL1 (0.38) SMN1; SMN2KMT2AMCL1

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
EP-2348096-A2 Synthesis of hybrid block copolymers and uses thereof Intezyne Technologies Inc. (US) 2011-07-27 EP disclosed