SCHEMBL28869157

SCHEMBL28869157

Oc1ccc(C[CH]c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.44
BACE1 P56817 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
DEGS1 O15121 1/20 0.37

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
SCHEMBL1826161 0.85 MAOB (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8734378 0.78 KEAP1 (0.47) MEN1KMT2AKDM4E
SCHEMBL29150938 0.76 HPRT1 (0.48) CYP1A2MEN1KMT2AKDM4E
SCHEMBL8671357 0.74 CYP1A2 (0.48) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6190936 0.73 MAPT (0.44) CYP1A2GRIN1GRIN2BMEN1KMT2A
SCHEMBL6192506 0.71 GPR52 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL133603 0.71 CHAT (0.46) PTGS1PTGS2GRIN2DGRIN3BGRIN1
SCHEMBL6991948 0.71 MAOB (0.51) MEN1KMT2AKDM4E
SCHEMBL8017918 0.71 CYP3A4 (0.49) GCGRBACE1HDAC8HDAC6MEN1
SCHEMBL5115664 0.70 KDM4E (0.43) BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311915-A Sulfonium salt, heat or photoacid generator, heat or Photocurable composition and its solidified body 三亚普罗股份有限公司 2019-02-05 CN disclosed