SCHEMBL5941399

SCHEMBL5941399

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MMP1 P03956 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PYGL P06737 1/20 0.42
LMNA P02545 3/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC3 O15379 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL5941402 1.00 KMT2A (0.43) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5941414 0.90 MMP1 (0.46) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5941413 0.90 MMP1 (0.46) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5085822 0.90 MAOA (0.43) KMT2AMEN1ALDH1A1LMNAAKR1B10
SCHEMBL5085824 0.90 MAOA (0.43) KMT2AMEN1ALDH1A1LMNAAKR1B10
SCHEMBL5941296 0.85 MMP1 (0.47) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5941297 0.85 MMP1 (0.47) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5941430 0.85 KMT2A (0.46) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5941429 0.85 KMT2A (0.46) KMT2AMEN1MMP1ALDH1A1PYGL
SCHEMBL5941397 0.83 KMT2A (0.47) KMT2AMEN1MMP1ALDH1A1PYGL

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