SCHEMBL28564488

SCHEMBL28564488

C=CCOC(=O)C(C(=O)OCC(C)C)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.34
RAB9A P51151 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1B Q00975 1/20 0.31
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28558891 0.86 TDP1 (0.46) ALDH1A1GAANPSR1TDP1CASP1
SCHEMBL28558880 0.85 ALDH1A1 (0.43) TSHRALDH1A1GAANPSR1CASP1
SCHEMBL28564478 0.82 CHRM2 (0.39) TSHRALDH1A1GAANPSR1CASP1
SCHEMBL28554031 0.76 TSHR (0.48) TSHRALDH1A1GAATDP1CASP1
SCHEMBL28650585 0.75 POLB (0.43) TSHRALDH1A1NPSR1RAB9ACHRM2
SCHEMBL27101947 0.74 RAB9A (0.39) TSHRALDH1A1RAB9ACHRM2CHRM1
SCHEMBL16732081 0.74 RAB9A (0.39) TSHRALDH1A1RAB9ACHRM2CHRM1
SCHEMBL28668233 0.74 POLB (0.42) ALDH1A1CHRM2CHRM1SLC6A3KCNH2
SCHEMBL16732127 0.73 RAB9A (0.38) TSHRALDH1A1RAB9ACHRM2CHRM1
SCHEMBL28557115 0.73 TSHR (0.46) TSHRALDH1A1GAATDP1CASP1

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-109678996-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109678998-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109679006-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-109679004-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed