SCHEMBL6936624

SCHEMBL6936624

COc1cccc(C2=NN(Cc3ccccc3)C(=O)C2(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
KMT2A Q03164 2/20 0.48
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
LMNA P02545 3/20 0.45
TMEM97 Q5BJF2 3/20 0.45
HTR1A P08908 2/20 0.45
DRD4 P21917 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL6936647 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL6931193 0.85 HDAC4 (0.43) LMNABACE1ALDH1A1MAPTHPGD
SCHEMBL6933855 0.84 ALDH1A1 (0.46) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6932869 0.80 TLR8 (0.46) KMT2ABACE1
SCHEMBL6930299 0.79 BACE1 (0.49) LMNABACE1
SCHEMBL6935775 0.78 CFTR (0.48) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL6931339 0.78 ALDH1A1 (0.43) KMT2ALMNADRD4DRD3ALDH1A1
SCHEMBL6935749 0.76 HDAC4 (0.43) LMNABACE1ALDH1A1
SCHEMBL6935599 0.76 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6731466 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKMT2A

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