SCHEMBL28540592

SCHEMBL28540592

COS(=O)(=O)CC1CCCC(Cc2cc(C)no2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 8/20 0.35
VHL P40337 2/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA5 P30532 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL19987782 0.81 PARG (0.35) PARGVHLEPHX2MEN1KMT2A
SCHEMBL28540594 0.81 PARG (0.35) PARGVHLEPHX2MEN1KMT2A
SCHEMBL1320181 0.78 VHL (0.41) PARGVHLEPHX2MEN1KMT2A
SCHEMBL18256182 0.78 PARG (0.35) PARGVHLEPHX2MEN1KMT2A
SCHEMBL1320408 0.75 VHL (0.41) PARGVHLEPHX2MEN1KMT2A
SCHEMBL18256114 0.75 VHL (0.39) PARGVHLEPHX2MEN1KMT2A
SCHEMBL18256181 0.69 VHL (0.38) PARGVHLEPHX2MEN1KMT2A
SCHEMBL23152007 0.68 ALDH1A1 (0.31)
SCHEMBL1320569 0.67 S1PR1 (0.40) VHLEPHX2MEN1KMT2ACHRNB2
SCHEMBL15687144 0.65 ALDH1A1 (0.34)

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-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed