SCHEMBL28025940

SCHEMBL28025940

[LiH].c1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.60
CYP11B2 P19099 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ADRA1A P35348 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PRCP P42785 1/20 0.48
GID4 Q8IVV7 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47
KDR P35968 1/20 0.47
CDK8 P49336 1/20 0.47

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
SCHEMBL503849 0.98 SIGMAR1 (0.62) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
SCHEMBL29390302 0.98 SIGMAR1 (0.62) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
Ammonia Solution, Strong SCHEMBL8210515 0.96 SIGMAR1 (0.60) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
SCHEMBL30606845 0.96 SIGMAR1 (0.60) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
Bicarbonate SCHEMBL376797 0.90 SIGMAR1 (0.55) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
Phenol SCHEMBL7789542 0.89 SIGMAR1 (0.54) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
Piperazine SCHEMBL10358144 0.89 TAAR1 (0.63) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
Trimethylammonium SCHEMBL27774993 0.89 SIGMAR1 (0.67) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
SCHEMBL1708051 0.87 SIGMAR1 (0.53) SIGMAR1CYP11B2TAAR1MEN1CYP3A4
SCHEMBL29842306 0.86 GID4 (0.62) SIGMAR1CYP11B2TAAR1MEN1CYP3A4

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-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed