SCHEMBL7057079

SCHEMBL7057079

CCOC(=O)C(CCc1ccccc1OC)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7061430 0.89 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL30036768 0.86 ALDH1A1 (0.46) MTNR1AMTNR1BTDP1ALDH1A1MEN1
SCHEMBL2426744 0.86 ALDH1A1 (0.46) MTNR1AMTNR1BTDP1ALDH1A1MEN1
SCHEMBL7055381 0.85 ABCB1 (0.47) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL7062590 0.85 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1TSHRTAAR1
SCHEMBL7058718 0.84 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7061302 0.83 MTNR1A (0.51) MTNR1AMTNR1BTDP1ALDH1A1MEN1
SCHEMBL7061453 0.82 TDP1 (0.43) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2673221 0.81 ALDH1A1 (0.49) MTNR1AMTNR1BTDP1ALDH1A1MEN1
SCHEMBL2427317 0.81 MMP8 (0.54) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed