SCHEMBL5941391

SCHEMBL5941391

CCC(OC(=O)/C=C/c1ccccc1)C(CC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
PYGL P06737 1/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL5941394 1.00 MMP1 (0.47) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5941375 0.88 HDAC3 (0.46) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5941420 0.88 MMP1 (0.43) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5941422 0.88 MMP1 (0.43) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5941379 0.88 HDAC3 (0.46) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5082893 0.88 LMNA (0.47) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5082903 0.88 LMNA (0.47) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5941269 0.86 KMT2A (0.48) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5941272 0.86 KMT2A (0.48) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5941414 0.83 MMP1 (0.46) MMP1PYGLLMNAKMT2AMEN1

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-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed