SCHEMBL6935772

SCHEMBL6935772

CC(C)N1N=C(c2cccc([N+](=O)[O-])c2)C(O)(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSMB8 P28062 1/20 0.39
PTPRC P08575 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
SCHEMBL6933141 0.84 PGR (0.43) PGRALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6936622 0.81 ALDH1A1 (0.44) PGRALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6933583 0.81 CFTR (0.45) PGRALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6935614 0.79 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6931194 0.78 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6935599 0.78 PDE4A (0.43) MAPTSMN1; SMN2LMNA
SCHEMBL6933114 0.75 CNR1 (0.46) ALDH1A1MAPTSMN1; SMN2RAB9ANPSR1
SCHEMBL6935775 0.75 CFTR (0.48) PGRALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL6932783 0.75 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6935448 0.75 CNR2 (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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