SCHEMBL28965281

SCHEMBL28965281

COCCOCc1ccc2cc(C=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
DAO P14920 1/20 0.34
ITK Q08881 1/20 0.34
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
ICAM1 P05362 2/20 0.31
SELE P16581 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
VCAM1 P19320 1/20 0.31
RAB9A P51151 1/20 0.31
CBFB Q13951 1/20 0.30
PTGES O14684 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
SCHEMBL25187011 0.77 EIF4A3 (0.48) DAORAB9A
SCHEMBL28090344 0.74 CYP2A6 (0.41) CYP2A6
SCHEMBL23932582 0.74 ALOX15 (0.58) RAB9A
SCHEMBL3144041 0.73 RAB9A (0.48) CYP2A6MAOARAB9A
SCHEMBL23482394 0.73 CYP2A6 (0.53) CYP2A6DAOGRIN2DGRIN3BGRIN1
SCHEMBL4960807 0.73 CYP2A6 (0.49) CYP2A6DAO
SCHEMBL29956508 0.70 CA2 (0.54) CYP2A6ITKRAB9A
SCHEMBL5828348 0.70 CA2 (0.54) CYP2A6ITKRAB9A
SCHEMBL4064508 0.70 ALDH1A1 (0.45) CYP2A6MAOARAB9A
SCHEMBL8313687 0.69 CYP2A6 (0.45) CYP2A6MAOADYRK1A

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-115427404-A Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2022-12-02 CN disclosed