SCHEMBL5082095

SCHEMBL5082095

CCOC(=O)C(C(C)C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PIN1 Q13526 1/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 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
SCHEMBL5083487 0.87 TSHR (0.49) NPC1LMNATSHRTP53SMN1; SMN2
SCHEMBL5083416 0.85 NPC1 (0.47) NPC1MEN1KMT2APIN1LMNA
SCHEMBL5082184 0.84 NPC1 (0.51) NPC1MEN1KMT2APIN1LMNA
SCHEMBL5082327 0.84 TSHR (0.52) NPC1MEN1KMT2ALMNATSHR
SCHEMBL5082889 0.84 PDCD1 (0.54) NPC1MEN1KMT2ALMNATSHR
SCHEMBL5082884 0.83 LMNA (0.45) NPC1MEN1KMT2APIN1LMNA
SCHEMBL5082872 0.82 MEN1 (0.47) NPC1MEN1KMT2APIN1LMNA
SCHEMBL5941267 0.82 TSHR (0.56) NPC1MEN1KMT2ALMNATSHR
SCHEMBL5082829 0.82 NPC1 (0.49) NPC1MEN1KMT2APIN1LMNA
SCHEMBL10974887 0.81 NPC1 (0.54) NPC1MEN1KMT2APIN1LMNA

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