SCHEMBL28847925

SCHEMBL28847925

CCCc1ccc2c(c1)OC(C=C=O)O2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PTGS2 P35354 4/20 0.34
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CA2 P00918 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10274494 0.75 CNR1 (0.41) CNR1CNR2PTGS2CYP3A4
SCHEMBL29852250 0.72 PTGS2 (0.40) CNR1CNR2PTGS2CYP3A4THRB
SCHEMBL1291782 0.72 PTGS2 (0.40) CNR1CNR2PTGS2CYP3A4THRB
SCHEMBL16215360 0.70 CYP2A6 (0.41) MEN1KMT2A
SCHEMBL9676454 0.69 L3MBTL1 (0.45) CNR1CNR2PTGS2
SCHEMBL8720251 0.66 CYP3A4 (0.40) CNR1CNR2CYP3A4MEN1KMT2A
SCHEMBL26504322 0.66 TAAR1 (0.47) CYP3A4MEN1KMT2A
SCHEMBL28568044 0.64 CNR1 (0.44) CNR1CNR2CYP3A4THRBCA2
SCHEMBL1292040 0.64 ALDH1A1 (0.46) PTGS2THRB
SCHEMBL3723048 0.64 PTGS2 (0.33) PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881386-A Antimicrobial compositions 弗门尼舍有限公司 2024-04-12 CN claimed
CN-114096235-A Antimicrobial compositions 弗门尼舍有限公司 2022-02-25 CN claimed
CN-117881386-A Antimicrobial compositions 弗门尼舍有限公司 2024-04-12 CN disclosed
CN-114096235-A Antimicrobial compositions 弗门尼舍有限公司 2022-02-25 CN disclosed