SCHEMBL25129019

SCHEMBL25129019

CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(CO)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 15/20 0.47
SIRT2 Q8IXJ6 1/20 0.42
SYK P43405 1/20 0.42
CYP17A1 P05093 1/20 0.41
TDP2 O95551 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2413104 0.87 CYP17A1 (0.45) CYP17A1
SCHEMBL4889660 0.84 CDK8 (0.67) CDK8
SCHEMBL30435041 0.83 CDK8 (0.48) CDK8SYK
SCHEMBL25129021 0.82 CDK8 (0.47) CDK8SIRT2SYKCYP17A1TDP2
SCHEMBL25129016 0.82 CDK8 (0.47) CDK8SYKCYP17A1TDP2
SCHEMBL29850092 0.82 NAMPT (0.49) CYP17A1
SCHEMBL853159 0.82 NAMPT (0.49) CYP17A1
SCHEMBL4732688 0.81 CDK8 (0.46) CDK8SYK
SCHEMBL29996697 0.81 CDK8 (0.46) CDK8SYK
SCHEMBL4880831 0.79 HTT (0.51) CDK8ALDH1A1MAPK1HTT

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
WO-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 WO disclosed