SCHEMBL28796609

SCHEMBL28796609

Cc1ccc(-n2nc(C(C)(C)C)cc2Cc2cc(C(=O)O)c(C)c(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.47
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
MAPK14 Q16539 9/20 0.46
MAPK11 Q15759 6/20 0.46
MAPK13 O15264 5/20 0.46
MAPK12 P53778 5/20 0.46
TRPV1 Q8NER1 3/20 0.40
PTK2 Q05397 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CCNC P24863 1/20 0.40
DDR2 Q16832 2/20 0.40
JAK2 O60674 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
SCHEMBL1600235 0.75 CDK8 (0.52) CDK8GRNSORT1MAPK14MAPK11
SCHEMBL1600233 0.74 GRN (0.80) CDK8GRNSORT1MAPK14MAPK11
SCHEMBL287168 0.72 CDK8 (0.52) CDK8GRNSORT1MAPK14MAPK11
SCHEMBL4248001 0.71 PPARA (0.40) CDK8GRNSORT1MAPK14MAPK11
SCHEMBL1600309 0.70 CDK8 (0.82) CDK8MAPK14MAPK11MAPK13MAPK12
SCHEMBL12983908 0.69 TRPV1 (0.61) TRPV1
SCHEMBL1600591 0.69 GRN (0.62) CDK8GRNSORT1MAPK14MAPK11
SCHEMBL12506458 0.68 TRPV1 (0.62) MAPK14MAPK11MAPK13MAPK12TRPV1
SCHEMBL15948863 0.68 GRN (0.61) CDK8GRNSORT1MAPK14MAPK11
SCHEMBL1599781 0.68 CDK8 (0.54) CDK8GRNSORT1MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596941-A Compounds for the treatment of dyslipidemia and related diseases CADILA HEALTHCARE LTD 2012-07-18 CN claimed
CN-102596941-A Compounds for the treatment of dyslipidemia and related diseases CADILA HEALTHCARE LTD 2012-07-18 CN disclosed