SCHEMBL28564356

SCHEMBL28564356

C=Cc1ccc(OC(C)(C)C)cc1OCCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
NR5A1 Q13285 1/20 0.36
CNR1 P21554 1/20 0.36
THRB P10828 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTA4H P09960 2/20 0.36
MDM2 Q00987 2/20 0.36
TLR8 Q9NR97 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 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
SCHEMBL3627650 0.87 NR5A1 (0.45) CNR2NR5A1THRBLTA4HMDM2
SCHEMBL3625776 0.84 MDM2 (0.46) CNR2MAPTLTA4HMDM2HDAC8
SCHEMBL3628375 0.80 KIF11 (0.37) ALDH1A1GAAMAPTTSHR
SCHEMBL3627658 0.77 MDM2 (0.52) ALDH1A1MAPTNPSR1LTA4HMDM2
SCHEMBL1967921 0.77 TLR8 (0.40) CNR2NR5A1CNR1THRBALDH1A1
SCHEMBL15899585 0.77 TLR8 (0.40) CNR2NR5A1CNR1THRBALDH1A1
SCHEMBL15899460 0.77 TLR8 (0.40) CNR2NR5A1CNR1THRBALDH1A1
SCHEMBL28323531 0.75 CNR2 (0.56) CNR2CNR1ALDH1A1GAAMAPT
SCHEMBL809991 0.75 CNR2 (0.41) CNR2CNR1THRBALDH1A1GAA
SCHEMBL2190590 0.75 TLR8 (0.40) CNR2NR5A1THRBALDH1A1GAA

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-112650022-A Easily-adhered and easily-removed photoresist 阜阳申邦新材料技术有限公司 2021-04-13 CN disclosed