SCHEMBL5083396

SCHEMBL5083396

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 2/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5079972 0.92 PDCD1 (0.49) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL5083351 0.89 KMT2A (0.45) LMNAALDH1A1NPC1HTTRAB9A
SCHEMBL5082120 0.89 LMNA (0.45) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL5941232 0.87 TP53 (0.47) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL5083433 0.87 MEN1 (0.44) PDCD1CD274LMNAALDH1A1RAB9A
SCHEMBL5082830 0.86 PDCD1 (0.51) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL5082833 0.82 PDCD1 (0.50) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL570497 0.81 ALDH1A1 (0.49) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL14690408 0.81 ALDH1A1 (0.49) PDCD1CD274LMNAALDH1A1NPC1
SCHEMBL16366695 0.81 ALDH1A1 (0.62) PDCD1CD274LMNAALDH1A1NPC1

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