SCHEMBL8814945

SCHEMBL8814945

CC1(O)CC(Oc2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A3 Q01959 5/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPA1 O75762 1/20 0.34
SLC6A4 P31645 3/20 0.33
KDM1A O60341 3/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TSHR P16473 1/20 0.33
EZH2 Q15910 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL30499031 0.75 HRH1 (0.38) HRH1SLC6A2SLC6A3TRPA1SLC6A4
SCHEMBL11580023 0.69 L3MBTL1 (0.34) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL12589503 0.69 TDP1 (0.48) HRH1SLC6A2SLC6A3CYP3A4SLC6A4
Alcohol SCHEMBL10352620 0.68 TDP1 (0.44) HRH1SLC6A2SLC6A3CYP3A4SLC6A4
SCHEMBL28379711 0.67 TDP1 (0.47) HRH1SLC6A2SLC6A3CYP3A4SLC6A4
SCHEMBL6917165 0.67 HRH1 (0.47) HRH1SLC6A2SLC6A3SLC6A4ALDH1A1
Propylene Oxide SCHEMBL4637647 0.67 TDP1 (0.42) HRH1SLC6A2SLC6A3CYP3A4SLC6A4
SCHEMBL8516523 0.66 HRH1 (0.41) HRH1SLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL2574974 0.66 HRH1 (0.45) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL562024 0.66 SLC6A2 (0.45) HRH1SLC6A2SLC6A3SLC6A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670255-A TERPENES, VITAMINS AS AN ANTIOXIDANTS; COLORFASTNESS AND HEAT RESISTANCE; CURABLE PPG INDUSTRIES, INC. (US) 1997-09-23 US disclosed