SCHEMBL28525858

SCHEMBL28525858

CC(O)COc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 3/20 0.33
PNMT P11086 1/20 0.33
ADRB2 P07550 4/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TLR4 O00206 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL28348127 0.85 KMT2A (0.36) MAPTLMNAPNMTADRB2ADRB1
SCHEMBL577662 0.85 AR (0.43) PNMTALDH1A1NPC1RAB9AKDM4E
SCHEMBL28519699 0.84 ADRB2 (0.35) MAPTLMNAPNMTADRB2ADRB1
Fluorene SCHEMBL28408646 0.84 AR (0.42) PNMTALDH1A1NPC1RAB9AKDM4E
SCHEMBL28537847 0.79 SLC6A9 (0.43) USP2AAK1SLC6A9ADRA1A
SCHEMBL2806274 0.79 LMNA (0.50) LMNAPNMTADRB2ADRB1ADRB3
SCHEMBL28696289 0.77 LMNA (0.40) MAPTTP53LMNAPNMTADRB2
SCHEMBL30493148 0.76 LMNA (0.44) MAPTLMNAPNMTALDH1A1NPC1
SCHEMBL22472191 0.76 HSP90AA1 (0.42) MAPTLMNAPNMTALDH1A1SMN1; SMN2
SCHEMBL30944692 0.76 HSP90AA1 (0.42) MAPTLMNAPNMTALDH1A1SMN1; SMN2

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-109071789-B Polycarbonate copolymer, optical lens and film using same, and method for producing same 三菱瓦斯化学株式会社 2021-01-15 CN disclosed