SCHEMBL28079293

SCHEMBL28079293

CCOOc1c(Cc2ccccc2)ccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
PTPN1 P18031 1/20 0.37
HTR2A P28223 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HPGD P15428 1/20 0.33
ALOX5 P09917 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
SCHEMBL980242 0.75 PTPN1 (0.49) SMN1; SMN2PTPN1CYP3A4CYP2D6TSHR
SCHEMBL7990271 0.74 CALM1 (0.46) SMN1; SMN2HTR2ACYP3A4CYP2D6TSHR
SCHEMBL2843915 0.71 CALM1 (0.42) HTR2ACYP3A4CYP2D6TSHRCYP2C19
SCHEMBL28784572 0.69 BCL2 (0.48) CYP3A4CYP2D6TSHRCYP2C19CNR2
SCHEMBL8098213 0.69 CALM1 (0.55) HTR2ACNR2GPR55BCL2BCL2L1
SCHEMBL1276090 0.68 CALM1 (0.48) SMN1; SMN2HTR2ACYP3A4CYP2D6TSHR
Ammonia Solution, Strong SCHEMBL27502158 0.66 CALM1 (0.46) SMN1; SMN2HTR2ACYP3A4CYP2D6TSHR
SCHEMBL8005691 0.66 TP53 (0.48) SMN1; SMN2HTR2ACNR2GPR55LDHA
SCHEMBL27789891 0.66 LTA4H (0.47) SMN1; SMN2HTR2ACNR2GPR55
SCHEMBL12817851 0.66 CYP3A4 (0.37) SMN1; SMN2HTR2ACYP3A4CYP2D6TSHR

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-104140679-B The silicon composition of a kind of main chain containing hydrocarbylene structure and preparation method thereof 江苏矽时代材料科技有限公司 2017-10-03 CN claimed
CN-105764993-B Siliceous heat or Photocurable composition AZ电子材料(卢森堡)有限公司 2019-04-09 CN disclosed
CN-104151835-B A kind of main chain silicon composition containing penylene structure and preparation method thereof 江苏矽时代材料科技有限公司 2017-01-04 CN disclosed
CN-105764993-A Silicon-containing heat- or photo-curable composition AZ电子材料(卢森堡)有限公司 2016-07-13 CN disclosed