SCHEMBL8428199

SCHEMBL8428199

COCC(CO)OCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL1219820 0.89 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28098697 0.89 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL21855420 0.89 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7771270 0.86 ALDH1A1 (0.33) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL14000853 0.86 ALDH1A1 (0.33) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL20026318 0.85 LPAR1 (0.34) ALDH1A1CNR1CNR2
SCHEMBL8959138 0.85 LPAR1 (0.34) ALDH1A1CNR1CNR2
SCHEMBL22873988 0.85 LPAR1 (0.34) ALDH1A1CNR1CNR2
SCHEMBL8959178 0.85 LPAR1 (0.34) ALDH1A1CNR1CNR2
SCHEMBL13028968 0.84 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB

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-6001153-A MIXING FLUID CONTAINING HYDROCARBONS, METHANE AND ACID GASES WITH SOLVENT; EXPANDING OR HEATING; SEPARATING SOME OF SOLVENT FROM GASEOUS FRACTION; COOLING GASEOUS FRACTION SO AS TO CONDENSE AND PROUDCE ACID GAS IN LIQUID FORM INSTITUT FRANCAIS DU PETROLE (FR) 1999-12-14 US disclosed