SCHEMBL6936622

SCHEMBL6936622

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 4/20 0.42
PGR P06401 3/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.40
ORAI1 Q96D31 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GLP1R P43220 1/20 0.40
PSMB8 P28062 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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 0.85 PGR (0.43) ALDH1A1PKMPGRMMP2MMP9
SCHEMBL6935772 0.81 PGR (0.44) ALDH1A1PKMPGRMMP2MMP9
SCHEMBL6933583 0.81 CFTR (0.45) ALDH1A1PKMPGRMMP2MMP9
SCHEMBL6935614 0.80 ALDH1A1 (0.46) ALDH1A1PKMKEAP1NFE2L2MMP2
SCHEMBL6931535 0.80 OPRL1 (0.37) ALDH1A1PKMMEN1KMT2ACYP1A2
SCHEMBL6931194 0.79 MAPT (0.45) ALDH1A1KEAP1NFE2L2MEN1KMT2A
SCHEMBL6935775 0.76 CFTR (0.48) ALDH1A1PGRMEN1KMT2AMAPT
SCHEMBL6933114 0.76 CNR1 (0.46) ALDH1A1KEAP1NFE2L2MAPTCYP1A2
SCHEMBL6935448 0.76 CNR2 (0.42) ALDH1A1MMP2MMP9MMP8MAPT
SCHEMBL6932783 0.76 MAPT (0.48) ALDH1A1PKMKEAP1NFE2L2MEN1

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