SCHEMBL14747864

SCHEMBL14747864

COc1cc(C2CCC(OC)C2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.43
PDE4B Q07343 9/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
HIF1A Q16665 1/20 0.42
KDM1A O60341 1/20 0.39
QDPR P09417 2/20 0.39
NR3C1 P04150 1/20 0.38
GRM7 Q14831 1/20 0.36
VEGFA P15692 1/20 0.36

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
SCHEMBL10029360 0.85 QDPR (0.50) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL9327374 0.80 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL9327377 0.80 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL9327384 0.80 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL14492330 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL12856197 0.74 QDPR (0.44) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL10208059 0.73 QDPR (0.70) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL14747863 0.73 CYP2C9 (0.47) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL26473246 0.71 HTR2A (0.67) PDE4B
SCHEMBL26473252 0.71 HTR2A (0.67) PDE4B

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
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed