SCHEMBL14838043

SCHEMBL14838043

CCc1cc2[nH]nc(C(C)C)n2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.33
PDE3A Q14432 4/20 0.33
HPGD P15428 1/20 0.33
PARP1 P09874 1/20 0.31

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
SCHEMBL23950371 0.80 PDE4B (0.37) PDE4BPDE3AHPGDPARP1
SCHEMBL14832855 0.78 HPGD (0.40) PDE4BPDE3AHPGD
SCHEMBL14400187 0.64 PDE4B (0.31) PDE4BPDE3A
SCHEMBL23950374 0.64 NLRP3 (0.37) PDE4BPDE3A
SCHEMBL23950345 0.63 PARP1 (0.36) PARP1
SCHEMBL27022377 0.62 PDE4B (0.33) PDE4BPDE3A
SCHEMBL1204783 0.62 HCAR2 (0.46)
SCHEMBL22686389 0.61 KDM4E (0.42) PDE4BPDE3AHPGDPARP1
SCHEMBL2737308 0.61 HPGD (0.37) HPGD
SCHEMBL23950469 0.60 PDE4B (0.38) PDE4BPDE3AHPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978749-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'Oréal (FR) 2016-02-03 EP disclosed
WO-2014155016-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'OREAL (FR) 2014-10-02 WO disclosed
WO-2013045702-A2 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A SPECIFIC NUCLEOPHILE OR AN AMINO OR THIO POLYMER, DYEING PROCESS, AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
WO-2013045701-A2 DYEING PROCESS USING A COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A NUCLEOPHILE OR AN AMINO OR THIO POLYMER, COMPOSITION AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed