SCHEMBL5083416

SCHEMBL5083416

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.44
PRKCA P17252 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PIN1 Q13526 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5082884 0.89 LMNA (0.45) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL5941400 0.87 TSHR (0.50) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL5082095 0.85 NPC1 (0.49) NPC1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL888330 0.85 NPC1 (0.49) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL12863873 0.83 TSHR (0.52) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL5085898 0.82 NPC1 (0.49) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL5083428 0.82 MEN1 (0.46) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL14690196 0.81 TSHR (0.53) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL1786485 0.81 TSHR (0.53) NPC1MEN1KMT2ALMNAPRKCA
SCHEMBL5079895 0.81 KMT2A (0.44) NPC1MEN1KMT2ALMNAPRKCA

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