SCHEMBL6930299

SCHEMBL6930299

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.49
BACE2 Q9Y5Z0 3/20 0.46
CTSD P07339 1/20 0.46
BRD4 O60885 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
COMT P21964 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 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
SCHEMBL6931193 0.83 HDAC4 (0.43) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL6935599 0.83 PDE4A (0.43) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL6935749 0.83 HDAC4 (0.43) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL6933153 0.82 KMT2A (0.42) BACE1BACE2CTSD
SCHEMBL17290595 0.82 BACE1 (0.48) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL17295193 0.82 BACE1 (0.48) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL17291009 0.82 BACE1 (0.46) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL6930303 0.82 LMNA (0.44) BACE1BACE2CTSDBRD4HDAC4
SCHEMBL6932694 0.81 MAPT (0.42) BACE1HDAC4HDAC8CYP1A2CYP3A4
SCHEMBL6932869 0.80 TLR8 (0.46) BACE1BRD4HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP claimed
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-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP 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