SCHEMBL4552844

SCHEMBL4552844

C=C(C)C(=O)N(C)C.C=C(C)C(=O)N(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
HTR1A P08908 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL21608 0.91 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
Acetic Acid SCHEMBL27406507 0.86 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL30887833 0.85
SCHEMBL22921 0.83
SCHEMBL26688132 0.82 ZDHHC20 (0.35) ALDH1A1CYP3A4L3MBTL1
Phosphoric Acid SCHEMBL28438604 0.82 MMP1 (0.48) LMNAMMP1MMP2MMP3MMP8
SCHEMBL7174331 0.82 CHRM1 (0.31) TDP1
Propylamine SCHEMBL9017074 0.80 TDP1 (0.35) ALDH1A1TDP1
Decane SCHEMBL29163682 0.80 TSHR (0.47) ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL28347195 0.80

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
EP-1636279-B1 POLY AND COPOLY (N -VINYLAMIDE)S AND THEIR USE IN CAPILLARY ELECTROPHORESIS APPLIED BIOSYSTEMS (US) 2009-02-18 EP disclosed
EP-1001994-B1 PROCESS FOR THE PREPARATION OF MACROMERS JOHNSON DIVERSEY INC (US) 2003-03-26 EP disclosed