SCHEMBL5941235

SCHEMBL5941235

CCCCC(C(=O)O)C(C)OC(=O)C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
EGFR P00533 1/20 0.44
HDAC3 O15379 1/20 0.44
MMP1 P03956 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
LMNA P02545 2/20 0.43
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
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 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
SCHEMBL5941231 1.00 KMT2A (0.45) KMT2AMEN1EGFRHDAC3MMP1
SCHEMBL5941252 0.92 KMT2A (0.46) KMT2AMEN1EGFRMMP1ALDH1A1
SCHEMBL5941255 0.92 KMT2A (0.46) KMT2AMEN1EGFRMMP1ALDH1A1
SCHEMBL5083353 0.89 ALDH1A1 (0.44) KMT2AMEN1EGFRHDAC3ALDH1A1
SCHEMBL5085871 0.89 TDP1 (0.46) KMT2AMEN1EGFRHDAC3MMP1
SCHEMBL5082178 0.89 AKR1B10 (0.46) KMT2AMEN1EGFRHDAC3MMP1
SCHEMBL5085874 0.89 TDP1 (0.46) KMT2AMEN1EGFRHDAC3MMP1
SCHEMBL5082182 0.89 AKR1B10 (0.46) KMT2AMEN1EGFRHDAC3MMP1
SCHEMBL5083350 0.89 ALDH1A1 (0.44) KMT2AMEN1EGFRHDAC3ALDH1A1
SCHEMBL5079953 0.87 TDP1 (0.44) KMT2AMEN1EGFRHDAC3MMP1

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