SCHEMBL375890

SCHEMBL375890

CC(C)(C)OC(=O)N1CCN(C(=O)O)C(C(=O)OC2CCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL16458941 0.91 HSD17B10 (0.46) PDE4BEPHX1HSD17B10HPGDGPR119
SCHEMBL376461 0.85 USP2 (0.41) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL9937434 0.85 CHRM2 (0.37) EPHX1ALDH1A1
SCHEMBL25312339 0.83 NR1H2 (0.47) PDE4BEPHX1ALDH1A1MAPTGPR119
SCHEMBL5253414 0.82 HSD17B10 (0.45) PDE4BEPHX1HSD17B10MEN1ALDH1A1
SCHEMBL13604577 0.82 HSD17B10 (0.45) PDE4BEPHX1HSD17B10MEN1ALDH1A1
SCHEMBL3782792 0.82 KLK7 (0.50) PDE4BJAK2JAK1
SCHEMBL9965340 0.80 PARP1 (0.53) PDE4BJAK2JAK1
SCHEMBL28003378 0.80 PARP1 (0.53) PDE4BJAK2JAK1
SCHEMBL21854859 0.76 NPC1 (0.41) EPHX1HSD17B10MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
EP-2079743-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-07-22 EP disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed