SCHEMBL9738690

SCHEMBL9738690

CCCCOc1cc(C=O)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
C5AR1 P21730 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4891360 0.90 MAPT (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL1609308 0.89 ALDH1A1 (0.52) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL16052466 0.89 MAPT (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL10542664 0.88 TLR4 (0.47) MAPTALDH1A1KDM4EHTR1AADRA1D
SCHEMBL10542672 0.88 TLR4 (0.47) MAPTALDH1A1KDM4EHTR1AADRA1D
SCHEMBL14294326 0.88 MAPT (0.62) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL10320671 0.87 MAPT (0.68) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL158285 0.87 MAPT (0.68) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL24865993 0.84 MAPT (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL30867117 0.84 MAPT (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126125-A Decreasing the melanin content in mammalian skin and hair using 5,6-dihydroxindole derivatives YALE UNIVERSITY (US) 1992-06-30 US disclosed
US-4956174-A COSMETICS, TANNING, PIGMENTATION L'OREAL (FR) 1990-09-11 US disclosed
US-4822375-A LIGHTFAST, WEATHER RESISTANT, NATURAL APPEARING HAIR DYES L'OREAL (FR) 1989-04-18 US disclosed