SCHEMBL2850139

SCHEMBL2850139

CCCCC1(C)C(=O)NC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.45
MMP9 P14780 7/20 0.45
MMP3 P08254 2/20 0.45
LMNA P02545 2/20 0.44
MMP13 P45452 5/20 0.42
MMP8 P22894 4/20 0.42
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRB3 P28472 1/20 0.38
OPRD1 P41143 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL15212094 0.86 LMNA (0.48) MMP2MMP9MMP3LMNAMMP13
SCHEMBL1683293 0.79 LMNA (0.58) MMP2MMP9MMP3LMNAMMP13
SCHEMBL472546 0.77 LMNA (0.44) MMP2MMP9MMP3LMNAMMP13
SCHEMBL11273946 0.76 MMP13 (0.43) MMP2MMP9MMP3LMNAMMP13
SCHEMBL5272059 0.76 LMNA (0.43) MMP2MMP9MMP3LMNAMMP13
Butethal SCHEMBL44262 0.76 LMNA (0.67) MMP2MMP9MMP3LMNAMMP13
SCHEMBL11256550 0.76 MMP13 (0.43) MMP2MMP9MMP3LMNAMMP13
SCHEMBL8348835 0.75 LMNA (0.59) MMP2MMP9MMP3LMNAMMP13
SCHEMBL5033111 0.74 LMNA (0.41) MMP2MMP9MMP3LMNAKDM4E
SCHEMBL6691265 0.74 SMN1; SMN2 (0.46) MMP2MMP9MMP3HSD17B10KDM4E

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-20100129777-A1 KIT FOR FIXING A DENTAL RESTORATION MATERIAL ON A TOOTH SUBSTANCE ERNST MÜHLBAUER GMBH & CO. KG (DE) 2010-05-27 US disclosed