SCHEMBL5082849

SCHEMBL5082849

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 4/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL5082853 1.00 ALDH1A1 (0.45) ALDH1A1LMNACA12CA1CA2
SCHEMBL5082177 0.90 ALDH1A1 (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL5082180 0.90 ALDH1A1 (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL5941430 0.88 KMT2A (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL5941429 0.88 KMT2A (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL5085955 0.88 ALDH1A1 (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL5085957 0.88 ALDH1A1 (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL5082868 0.88 LMNA (0.45) ALDH1A1LMNACA12CA1CA2
SCHEMBL5082864 0.88 LMNA (0.45) ALDH1A1LMNACA12CA1CA2
SCHEMBL5083444 0.86 LMNA (0.44) ALDH1A1LMNACA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed