SCHEMBL5082872

SCHEMBL5082872

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
CYP2D6 P10635 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTR1A P08908 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL5083523 0.87 ALDH1A1 (0.46) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5082896 0.85 TSHR (0.49) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5082123 0.85 PDCD1 (0.51) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5083428 0.84 MEN1 (0.46) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5941410 0.83 TSHR (0.58) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5082095 0.82 NPC1 (0.49) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5079869 0.82 LMNA (0.44) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5082184 0.82 NPC1 (0.51) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5080005 0.80 MEN1 (0.47) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL5082829 0.79 NPC1 (0.49) MEN1KMT2ANPC1LMNASMN1; SMN2

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