SCHEMBL28818233

SCHEMBL28818233

C1=CC2=CC=CC2=C1.CCCCC1CCCc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
AHR P35869 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL27450656 0.91 SIGMAR1 (0.39) SIGMAR1HTR1AADRA1ADRD2DRD4
SCHEMBL28191378 0.88 DRD4 (0.39) SIGMAR1HTR1AADRA1ADRD2DRD4
SCHEMBL28168592 0.88 DRD4 (0.39) SIGMAR1HTR1AADRA1ADRD2DRD4
Benzene SCHEMBL28236625 0.87 SIGMAR1 (0.40) SIGMAR1HTR1AADRA1ADRD4
Furan SCHEMBL28211975 0.85 SIGMAR1 (0.36) SIGMAR1HTR1AADRA1ADRD2DRD4
SCHEMBL28223991 0.84 CYP1A2 (0.40) SIGMAR1ALDH1A1CYP1A2LCKFYN
Pyrrole SCHEMBL28240822 0.83 DRD4 (0.38) SIGMAR1HTR1AADRA1ADRD2DRD4
Thiophene SCHEMBL27710669 0.82 DRD4 (0.36) SIGMAR1HTR1AADRA1ADRD2DRD4
Piperidine SCHEMBL27465895 0.81 SIGMAR1 (0.35) SIGMAR1DRD4
SCHEMBL27601543 0.81 SIGMAR1 (0.38) SIGMAR1ALDH1A1CYP1A2LCKFYN

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-104662050-A Process for producing olefin polymer and olefin polymer MITSU CHEMICALS INC 2015-05-27 CN disclosed
CN-104662030-A Transition metal compound, catalyst for olefin polymerization, and process for producing olefin polymer MITSU CHEMICALS INC 2015-05-27 CN disclosed