SCHEMBL5368697

SCHEMBL5368697

CCC(C)COC(=O)C1CCCC(C(=O)OCC(C)CC)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EPHX2 P34913 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL12233233 0.89 ADRB2 (0.50) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL12233224 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL6447084 0.87 ADRB2 (0.39) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL5363237 0.85 MAPT (0.42) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL24813507 0.85 MAPT (0.37) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL5363380 0.84 ADRB2 (0.42) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL1169784 0.84 ADRB2 (0.44) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL1296723 0.81 MEN1 (0.48) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL1170276 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL19242305 0.80 SLC6A1 (0.45) ADRB2ADRB1ADRB3MAPTALDH1A1

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
CN-107840909-B Solid catalyst component for olefin polymerization, catalyst system and prepolymerization catalyst 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-107840906-B Solid catalyst component for olefin polymerization, catalyst system and prepolymerization catalyst 中国石油化工股份有限公司 2020-11-10 CN claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed