SCHEMBL6936097

SCHEMBL6936097

CCCCCCCCN1N=C(c2ccccc2)C(O)(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.41
FAAH O00519 2/20 0.41
SCN9A Q15858 1/20 0.39
SMPD1 P17405 1/20 0.39
TLR8 Q9NR97 1/20 0.38
PKM P14618 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL6935385 0.87 KDM4E (0.47) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL6934383 0.85 SMPD1 (0.43) MAPTSMPD1TLR8
SCHEMBL6932869 0.83 TLR8 (0.46) TLR8
SCHEMBL6935448 0.81 CNR2 (0.42) LMNAHTTNPSR1MAPT
SCHEMBL6933855 0.76 ALDH1A1 (0.46) KDM4ELMNA
SCHEMBL6933518 0.75 ALDH1A1 (0.46) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL7606893 0.70 KDM4E (0.45) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL6931339 0.70 ALDH1A1 (0.43) LMNAHTTNPSR1
SCHEMBL6931535 0.68 OPRL1 (0.37) KDM4EPKM
SCHEMBL6931581 0.67 ALDH1A1 (0.42) KDM4ELMNAMAPTPKM

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