SCHEMBL30696161

SCHEMBL30696161

CC(C)Oc1cc(OC(C)C)c(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TLR8 Q9NR97 1/20 0.41
CSNK2A1 P68400 2/20 0.38
GAA P10253 2/20 0.38
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36

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
SCHEMBL11847519 0.81 CYP3A4 (0.48) POLBTLR8CSNK2A1GAAMCHR1
SCHEMBL11544312 0.81 TLR8 (0.42) POLBTLR8CSNK2A1GAAMCHR1
SCHEMBL3168309 0.80 GAA (0.35) POLBGAAALDH1A1MAPTL3MBTL1
SCHEMBL10424032 0.80 CSNK2A1 (0.49) POLBTLR8CSNK2A1GAAALDH1A1
SCHEMBL18304935 0.78 POLB (0.45) POLBTLR8CSNK2A1GAAMCHR1
SCHEMBL1545548 0.78 POLB (0.45) POLBTLR8CSNK2A1GAAMCHR1
SCHEMBL9070294 0.77 ALDH1A1 (0.59) POLBTLR8CSNK2A1MCHR1ALDH1A1
SCHEMBL7519140 0.77 ALDH1A1 (0.44) POLBTLR8CSNK2A1GAAMCHR1
SCHEMBL3875281 0.77 POLB (0.49) POLBTLR8CSNK2A1GAAMCHR1
SCHEMBL22212141 0.77 CYP3A4 (0.38) POLBTLR8CSNK2A1GAAMCHR1

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-117265772-A Preparation method of PBO nanofiber membrane 山东非金属材料研究所 2023-12-22 CN claimed
CN-117265772-A Preparation method of PBO nanofiber membrane 山东非金属材料研究所 2023-12-22 CN disclosed