SCHEMBL7060692

SCHEMBL7060692

COC(=O)C(CCc1ccccc1C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
ALOX5 P09917 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.37
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL7058718 0.88 TDP1 (0.50) KMT2AMEN1TAAR1MAOBALDH1A1
SCHEMBL7061330 0.85 ALDH1A1 (0.39) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL7061399 0.84 TAAR1 (0.42) LMNAKMT2AMEN1MAPTTAAR1
SCHEMBL7061430 0.84 MTNR1A (0.56) KMT2AMEN1TAAR1ALDH1A1HPGD
SCHEMBL7060354 0.83 ALDH1A1 (0.47) KMT2AMEN1MAOBALDH1A1TDP1
SCHEMBL7061793 0.83 TSHR (0.49) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL7058175 0.82 ALDH1A1 (0.40) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL7060369 0.81 MTNR1A (0.48) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL7057116 0.80 ALDH1A1 (0.52) KDM4EKMT2AMEN1MAOBALDH1A1
SCHEMBL28741557 0.80 KDM4E (0.46) LMNAKDM4EKMT2AMEN1MAPT

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