SCHEMBL5367194

SCHEMBL5367194

CCOc1cc(C)c(O)cc1N.COc1cc(C)c(O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL453061 0.93 ALDH1A1 (0.48) PDE4APDE4BPDE4CPDE4DGAA
Hydrochloric Acid SCHEMBL9023543 0.91 MAPT (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL93964 0.88 POLB (0.48) GAAKDM4EMAPTPOLBALDH1A1
SCHEMBL30086832 0.88 POLB (0.48) GAAKDM4EMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL9024309 0.86 GAA (0.47) GAAKDM4EMAPTPOLBALDH1A1
SCHEMBL4245018 0.84 GAA (0.51) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL9196750 0.82 HMGCR (0.45) GAAPOLBALDH1A1L3MBTL1CYP3A4
SCHEMBL11581139 0.82 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8022335 0.82 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL23804826 0.80 MAPT (0.53) PDE4APDE4BPDE4CPDE4DGAA

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
US-7273058-B2 Dividing hair into individual strands and winding on curlers; prior to application on hair, mixing shaping component with dye component having keratin-reducing agent and 4,5-diaminopyrazole and/or aminophenol derivative(s); fixing, rinsing WELLA AG (DE) 2007-09-25 US claimed