SCHEMBL6935599

SCHEMBL6935599

COc1cccc(C2=NN(C(C)C)C(=O)C2(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
BACE1 P56817 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CTSD P07339 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAOB P27338 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6933851 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL6930299 0.83 BACE1 (0.49) HDAC4HDAC8BACE1CYP1A2CYP3A4
SCHEMBL6933627 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6931193 0.80 HDAC4 (0.43) HDAC4HDAC8BACE1CYP1A2CYP3A4
SCHEMBL6935749 0.80 HDAC4 (0.43) HDAC4HDAC8BACE1CYP1A2CYP3A4
SCHEMBL6930303 0.79 LMNA (0.44) HDAC4HDAC8BACE1CYP1A2CYP3A4
SCHEMBL6932694 0.78 MAPT (0.42) HDAC4HDAC8BACE1CYP1A2CYP3A4
SCHEMBL8495131 0.76 ACHE (0.41) HDAC4HDAC8BACE1CYP1A2CYP3A4
SCHEMBL6935089 0.76 CNR1 (0.46) CYP3A4CYP2C9LMNAGAAMAPT
SCHEMBL6936624 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DBACE1

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
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed