SCHEMBL8208035

SCHEMBL8208035

CC(=O)Oc1c(C)c(F)c(F)c2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PREP P48147 2/20 0.34
CELA1 Q9UNI1 1/20 0.34

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
SCHEMBL29370903 0.80 KDM4E (0.47) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL9627562 0.77 PDE4A (0.41) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL8134178 0.77 HTT (0.39) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL9627915 0.74 PDE4A (0.41) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL1994318 0.74 KMT2A (0.49) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL13666895 0.73 KDM4E (0.62) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL14181682 0.72 KDM4E (0.61) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL9629235 0.72 KDM4E (0.41) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL9629349 0.71 ALDH1A1 (0.40) KDM4EHTTHSD17B10GAAMAPT
SCHEMBL9627706 0.71 KDM4E (0.45) KDM4EHTTHSD17B10GAAMAPT

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-6045590-A REPLACING 2-METHYL-1-NAPHTHOL WITH A MOLAR EQUIVALENT OF A 1-(ALKOXYCARBONYLOXY OR ALKYLCARBONYLOXY),2-METHYL-NAPHTHYLENE OR 2-METHYL,4-((HYDROXY)(ALKOXY)ALKOXY)-NAPHTH-1-OL; STORAGE STABLE HAIR DYES PRODUCE SAME COLOR BRISTOL-MYERS SQUIBB CO. (US) 2000-04-04 US disclosed
US-5672180-A USED IN OXIDATIVE HAIR DYE SYSTEMS CLAIROL INCORPORATED (US) 1997-09-30 US disclosed
US-5529583-A HAIR DYE CLAIROL INCORPORATED (US) 1996-06-25 US disclosed