SCHEMBL29204572

SCHEMBL29204572

CCOC(=O)c1cccc(CNC(=O)c2coc(-c3ccc(OC(F)F)c(OC(C)C)c3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR9 Q9NR96 8/20 0.36
TLR8 Q9NR97 8/20 0.36
TLR7 Q9NYK1 8/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ELANE P08246 1/20 0.35
HDAC1 Q13547 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
ACR P10323 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL29204603 0.91 HDAC1 (0.36) TLR9TLR8TLR7SCN10AHDAC1
SCHEMBL29204612 0.90 HDAC1 (0.38) TLR9TLR8TLR7SCN10AHDAC1
SCHEMBL29204582 0.90 TLR9 (0.36) ALDH1A1TLR9TLR8TLR7SCN10A
SCHEMBL29204606 0.88 TLR9 (0.35) TLR9TLR8TLR7SCN10AHDAC1
SCHEMBL17040265 0.85 MAPT (0.41) CYP1A2MAPTALDH1A1MAPK1TLR9
SCHEMBL29204580 0.84 MAPT (0.39) CYP1A2MAPTALDH1A1
SCHEMBL29204624 0.82 KMT2A (0.36)
SCHEMBL19066431 0.77 LCLAT1 (0.35)
SCHEMBL19066435 0.77 HDAC1 (0.42) CYP1A2MAPTMAPK1TLR9TLR8
SCHEMBL30484536 0.77 DGAT2 (0.39) MAPTTLR9TLR8TLR7HDAC1

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-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed