SCHEMBL5082230

SCHEMBL5082230

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAPK1 P28482 2/20 0.39
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
SCHEMBL5082878 1.00 MEN1 (0.43) MEN1KMT2ANPC1LMNAOPRD1
SCHEMBL5083437 0.88 ALDH1A1 (0.43) NPC1LMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL5079998 0.88 TSHR (0.44) MEN1KMT2ANPC1LMNAOPRD1
SCHEMBL5083415 0.88 PDCD1 (0.47) NPC1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5941277 0.86 TSHR (0.47) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL5082873 0.86 MEN1 (0.43) MEN1KMT2ANPC1LMNAOPRD1
SCHEMBL5082829 0.85 NPC1 (0.49) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL5082902 0.84 LMNA (0.41) MEN1KMT2ANPC1LMNAOPRD1
SCHEMBL5082861 0.82 LMNA (0.47) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL5082891 0.82 MEN1 (0.47) MEN1KMT2ANPC1LMNAALDH1A1

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