SCHEMBL9449351

SCHEMBL9449351

COc1ccc2c(c1)C(O)c1ccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
PDK2 Q15119 2/20 0.50
GPR3 P46089 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.44
MAPT P10636 1/20 0.44
SNCA P37840 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2A P28223 1/20 0.44
RAB9A P51151 1/20 0.44
DRD1 P21728 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAOA P21397 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL8896192 0.91 MEN1 (0.52) HRH3PDK2GPR3GAAMEN1
SCHEMBL18287945 0.83 MAOA (0.50) MEN1ALDH1A1KMT2AHTR2ARAB9A
SCHEMBL29217217 0.83 LTA4H (0.51) HRH3PDK2GAAMEN1ALDH1A1
SCHEMBL22321722 0.79 ELANE (0.49) HRH3HTR7HTR2B
SCHEMBL30818407 0.79 GPR3 (0.46) PDK2GPR3GAAMEN1ALDH1A1
SCHEMBL9449380 0.78 HRH3 (0.55) HRH3PDK2GPR3GAAMEN1
Hydrochloric Acid SCHEMBL7201366 0.77 GPR3 (0.45) PDK2GPR3GAAMEN1ALDH1A1
SCHEMBL20381771 0.77 MAOA (0.46) HTR2ADRD1HSD17B1HSD17B2MAOA
SCHEMBL18552925 0.77 MAOA (0.46) HTR2ADRD1HSD17B1HSD17B2MAOA
SCHEMBL9449452 0.77 MAPT (0.49) GPR3GAAALDH1A1MAPTHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223517-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS TRANSFUSION HEALTH, LLC (US) 2020-11-05 WO disclosed
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN 1993-04-21 EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed