SCHEMBL5082830

SCHEMBL5082830

CCC(C(=O)OC(C)C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 4/20 0.45
TP53 P04637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 2/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ADRB2 P07550 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
SCHEMBL5079972 0.88 PDCD1 (0.49) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5086238 0.88 TSHR (0.49) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5082829 0.88 NPC1 (0.49) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5941226 0.88 TSHR (0.49) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5082833 0.87 PDCD1 (0.50) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5083396 0.86 PDCD1 (0.47) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5079875 0.86 TSHR (0.53) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5085942 0.85 ALDH1A1 (0.47) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5083408 0.85 PDCD1 (0.49) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL5082117 0.84 CYP2D6 (0.45) PDCD1CD274SMN1; SMN2LMNANPC1

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