SCHEMBL5941390

SCHEMBL5941390

CCC(OC(=O)C=Cc1ccccc1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.45
PYGL P06737 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
AKR1B10 O60218 2/20 0.42
AKR1B1 P15121 2/20 0.42
ALDH1A1 P00352 2/20 0.41
EGFR P00533 2/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5941387 1.00 MMP1 (0.45) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5082118 0.89 LMNA (0.44) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5082111 0.89 LMNA (0.44) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5941394 0.82 MMP1 (0.47) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5941391 0.82 MMP1 (0.47) MMP1PYGLLMNAKMT2AMEN1
SCHEMBL5941233 0.82 AKR1B10 (0.47) MMP1LMNAKMT2AMEN1AKR1B10
SCHEMBL5941229 0.82 AKR1B10 (0.47) MMP1LMNAKMT2AMEN1AKR1B10
SCHEMBL5086258 0.79 LMNA (0.42) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL5086261 0.79 LMNA (0.42) MMP1LMNAKMT2AMEN1MAOA
SCHEMBL18668878 0.77 MMP1 (0.60) MMP1LMNAKMT2AMEN1MAOA

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