SCHEMBL6933583

SCHEMBL6933583

CCN1N=C(c2cccc([N+](=O)[O-])c2)C(O)(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
PGR P06401 2/20 0.40
ORAI1 Q96D31 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 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
SCHEMBL6935448 0.87 CNR2 (0.42) CFTRMMP2MMP9MMP8L3MBTL1
SCHEMBL6935775 0.85 CFTR (0.48) CFTRL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6933141 0.84 PGR (0.43) CFTRMMP2MMP9MMP8ALDH1A1
SCHEMBL6936622 0.81 ALDH1A1 (0.44) MMP2MMP9MMP8ALDH1A1MAPT
SCHEMBL6935772 0.81 PGR (0.44) MMP2MMP9MMP8ALDH1A1MAPT
SCHEMBL6935614 0.79 ALDH1A1 (0.46) MMP2MMP9MMP8L3MBTL1ALDH1A1
SCHEMBL6931194 0.78 MAPT (0.45) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6931193 0.78 HDAC4 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6933114 0.75 CNR1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL6932783 0.75 MAPT (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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