SCHEMBL5083437

SCHEMBL5083437

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
RAB9A P51151 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TP53 P04637 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKCA P17252 3/20 0.37

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
SCHEMBL5082230 0.88 MEN1 (0.43) ALDH1A1TSHRRAB9AMMP1MMP2
SCHEMBL5082878 0.88 MEN1 (0.43) ALDH1A1TSHRRAB9AMMP1MMP2
SCHEMBL5083415 0.87 PDCD1 (0.47) ALDH1A1TSHRRAB9AMMP1MMP2
SCHEMBL5079998 0.87 TSHR (0.44) ALDH1A1TSHRRAB9AMMP1MMP2
SCHEMBL5941277 0.85 TSHR (0.47) ALDH1A1TSHRRAB9AMMP1MMP2
SCHEMBL5085942 0.84 ALDH1A1 (0.47) ALDH1A1TSHRRAB9AADRB2ADRB1
SCHEMBL5079860 0.84 TSHR (0.47) ALDH1A1TSHRRAB9AADRB2ADRB1
SCHEMBL5082882 0.82 ALDH1A1 (0.45) ALDH1A1TSHRRAB9AADRB2ADRB1
SCHEMBL5082172 0.82 KMT2A (0.46) ALDH1A1TSHRRAB9AADRB2ADRB1
SCHEMBL5085903 0.81 ALDH1A1 (0.43) ALDH1A1TSHRMMP1LMNACASP1

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 4 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
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed