SCHEMBL6941618

SCHEMBL6941618

Cc1cc(CC(C)(C)CC(C)C)[nH]c(=O)c1O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL794919 0.77 PARP1 (0.31)
SCHEMBL7202508 0.71 DAO (0.35) KDM4EMEN1USP2MAPTKMT2A
Monoethanolamine SCHEMBL5374537 0.70 PARP1 (0.30)
SCHEMBL5183774 0.70 ESR1 (0.33) KDM4E
SCHEMBL7199913 0.68 GPR84 (0.36) KDM4EMEN1USP2MAPTKMT2A
SCHEMBL7198668 0.64 DAO (0.51)
SCHEMBL2471001 0.64 SHMT2 (0.33) KDM4E
SCHEMBL5181580 0.64 GPR84 (0.56)
SCHEMBL2551804 0.64 MAPK1 (0.50) KDM4EMEN1USP2MAPTKMT2A
SCHEMBL992397 0.63 ESR1 (0.47) MEN1KMT2A

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
EP-1282390-A1 METHOD FOR THE TREATMENT OF DANDRUFF USING 1-HYDROXY-2-PYRIDONE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-02-12 EP disclosed
WO-2001085107-A1 METHOD FOR THE TREATMENT OF DANDRUFF USING 1-HYDROXY-2-PYRIDONE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-15 WO disclosed