SCHEMBL6932869

SCHEMBL6932869

CCCCCCCCN1N=C(c2cccc(OC)c2)C(O)(O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
ICMT O60725 2/20 0.43
EPHX2 P34913 2/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.40
BACE1 P56817 3/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
GRM2 Q14416 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL6934383 0.86 SMPD1 (0.43) TLR8CNR2CNR1GRM2KMT2A
SCHEMBL6931193 0.86 HDAC4 (0.43) BACE1HDAC4HDAC8BRD4
SCHEMBL6936097 0.83 KDM4E (0.45) TLR8
SCHEMBL6935448 0.81 CNR2 (0.42) CNR2CNR1
SCHEMBL6936624 0.80 PDE4A (0.53) BACE1KMT2A
SCHEMBL6930299 0.80 BACE1 (0.49) BACE1HDAC4HDAC8BRD4
SCHEMBL6935385 0.76 KDM4E (0.47) TLR8CNR1
SCHEMBL7611400 0.76 TLR8 (0.48) TLR8ICMTEPHX2CNR2CNR1
SCHEMBL6935749 0.74 HDAC4 (0.43) BACE1HDAC4HDAC8BRD4
SCHEMBL6935599 0.74 PDE4A (0.43) BACE1HDAC4HDAC8BRD4

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