SCHEMBL7642003

SCHEMBL7642003

CCOC(=O)C(CCCc1cccc(OC)c1)C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL2178506 0.94 MAPK1 (0.70) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7635607 0.90 MTNR1A (0.60) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7640063 0.88 MTNR1A (0.52) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7640217 0.86 MTNR1A (0.53) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7641920 0.84 KMT2A (0.51) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2425450 0.84 ALDH1A1 (0.56) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL4083647 0.84 MAPK1 (0.53) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7635571 0.84 MAPK1 (0.48) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2422561 0.83 TDP1 (0.56) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL1856039 0.81 L3MBTL1 (0.50) MAPK1L3MBTL1TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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