SCHEMBL28292393

SCHEMBL28292393

[Li]C1=C(C)c2ccccc2C1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PBRM1 Q86U86 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
HTR5A P47898 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GPR3 P46089 1/20 0.31
TDO2 P48775 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL28290982 0.79 HTR2A (0.38) HTR2ABCHEACHEPBRM1TNKS2
SCHEMBL1996543 0.78 HTR2A (0.54) HTR2ABCHEACHECYP1A2CYP2C19
SCHEMBL9075350 0.71 HTR2A (0.45) HTR2AACHEPBRM1TNKS2CA1
SCHEMBL17008820 0.71 GPR3 (0.35) HTR2APBRM1TNKS2GPR3DRD2
SCHEMBL29387555 0.71 GPR3 (0.35) HTR2APBRM1TNKS2GPR3DRD2
SCHEMBL6344393 0.69 HTR2A (0.43) HTR2ABCHEACHEPBRM1TNKS2
SCHEMBL12690296 0.69 HTR2A (0.36) HTR2ABCHEACHEPBRM1TNKS2
SCHEMBL313685 0.69 ACHE (0.55) HTR2ABCHEACHECA1CA2
SCHEMBL877438 0.67 HTR2A (0.56) HTR2ABCHEACHE
SCHEMBL6060938 0.66 HTR2A (0.54) HTR2ABCHEACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715683-B Polymerization catalysts with improved ethylene connectivity 尤尼威蒂恩技术有限责任公司 2022-02-11 CN disclosed
CN-109715683-A Polymerization catalysts with improved ethylene connectivity 尤尼威蒂恩技术有限责任公司 2019-05-03 CN disclosed