SCHEMBL6933518

SCHEMBL6933518

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 3/20 0.37
FAAH O00519 3/20 0.37
GBA1 P04062 2/20 0.36
SCN9A Q15858 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33

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
SCHEMBL6934787 0.70 PTGS1 (0.41) ALDH1A1GAAMAPTTHRBKDM4E
SCHEMBL7606912 0.67 ALDH1A1 (0.50) ALDH1A1GAAMAPTTHRBKDM4E
SCHEMBL9153141 0.66 GAA (0.96) ALDH1A1GAAMAPTTHRBKDM4E
SCHEMBL2365151 0.63 ALDH1A1 (1.00) ALDH1A1GAAMAPTTHRBKDM4E
SCHEMBL11840543 0.59 MGLL (0.52) ALDH1A1THRBHTTLMNAPTGS1
SCHEMBL9626274 0.59 MGLL (0.52) ALDH1A1THRBHTTLMNAPTGS1
SCHEMBL17999908 0.59 MGLL (0.64) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL13966396 0.59 MGLL (0.64) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL13681576 0.59 MGLL (0.64) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL4963710 0.59 MGLL (0.52) ALDH1A1THRBHTTLMNAPTGS1

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