SCHEMBL9863144

SCHEMBL9863144

N#C[C@H](OC(=O)CCC(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PTGS1 P23219 1/20 0.47
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.44
AKR1C3 P42330 1/20 0.42
FFAR1 O14842 6/20 0.41
FFAR4 Q5NUL3 3/20 0.41
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GNA15 P30679 1/20 0.39
PTGER3 P43115 1/20 0.39
EPOR P19235 1/20 0.38

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
SCHEMBL9863150 1.00 TDP1 (0.53) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL9863147 0.96 ALDH1A1 (0.55) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL9863148 0.96 ALDH1A1 (0.55) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL5161879 0.89 ALDH1A1 (0.54) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL5161874 0.89 ALDH1A1 (0.54) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL27413143 0.87 ALDH1A1 (0.53) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL9862933 0.86 ALDH1A1 (0.56) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL9862932 0.86 ALDH1A1 (0.56) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL9862890 0.86 ALDH1A1 (0.53) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL9862889 0.86 ALDH1A1 (0.53) TDP1ALDH1A1PTGS1MEN1CYP2D6

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
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0118163-B1 METHOD FOR BIOTECHNOLOGICALLY PREPARING OPTICALLY ACTIVE ALPHA-CYANO-3-PHENOXYBENZYL ALCOHOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-20 EP disclosed
EP-0118163-A1 Method for biotechnologically preparing optically active alpha-cyano-3-phenoxybenzyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-12 EP disclosed