SCHEMBL5941397

SCHEMBL5941397

CC(C)CC(C(=O)O)C(C)OC(=O)C=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
MMP1 P03956 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.46
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5941392 1.00 KMT2A (0.47) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5082110 0.88 AKR1B10 (0.49) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5082114 0.88 AKR1B10 (0.49) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5082109 0.88 ALDH1A1 (0.46) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5082113 0.88 ALDH1A1 (0.46) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5941272 0.87 KMT2A (0.48) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5941269 0.87 KMT2A (0.48) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5083381 0.87 ALDH1A1 (0.45) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5083486 0.87 ALDH1A1 (0.45) KMT2AMEN1MMP1ALDH1A1LMNA
SCHEMBL5083388 0.87 ALDH1A1 (0.45) KMT2AMEN1MMP1ALDH1A1LMNA

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