SCHEMBL5083433

SCHEMBL5083433

CCCCC(C(=O)OCC(C)C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALOX12 P18054 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL5082882 0.92 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5082120 0.90 LMNA (0.45) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5083351 0.87 KMT2A (0.45) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5083396 0.87 PDCD1 (0.47) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5085942 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5941232 0.85 TP53 (0.47) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5079860 0.84 TSHR (0.47) ALDH1A1LMNATSHRRAB9AADRB2
SCHEMBL5082172 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5082861 0.81 LMNA (0.47) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5079953 0.80 TDP1 (0.44) MEN1KMT2AALDH1A1LMNACA2

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 4 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
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