SCHEMBL5083415

SCHEMBL5083415

C=CCC(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
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 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
SCHEMBL5079998 0.89 TSHR (0.44) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5082230 0.88 MEN1 (0.43) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5082878 0.88 MEN1 (0.43) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5941277 0.87 TSHR (0.47) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5083437 0.87 ALDH1A1 (0.43) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5082830 0.83 PDCD1 (0.51) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5082833 0.82 PDCD1 (0.50) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL570149 0.81 TSHR (0.46) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5079972 0.81 PDCD1 (0.49) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL5083408 0.81 PDCD1 (0.49) PDCD1CD274NPC1RAB9ASMN1; 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