SCHEMBL7641920

SCHEMBL7641920

CCOC(=O)C(CCCc1ccc(OC)cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 1/20 0.50
MEN1 O00255 2/20 0.49
CALM1 P0DP23 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LDHA P00338 1/20 0.45
F2RL1 P55085 1/20 0.44

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
SCHEMBL11206752 0.93 TDP1 (0.57) KMT2AGLATDP1ALDH1A1TSHR
SCHEMBL7055409 0.92 KMT2A (0.54) KMT2AGLATDP1ALDH1A1TSHR
SCHEMBL11205148 0.90 LDHA (0.54) KMT2AGLATDP1ALDH1A1TSHR
SCHEMBL7639098 0.89 SMN1; SMN2 (0.51) KMT2AGLAALDH1A1ALOX5CALM1
SCHEMBL11246312 0.86 KMT2A (0.49) KMT2AGLATDP1ALDH1A1TSHR
SCHEMBL7640324 0.85 ALOX5 (0.46) KMT2AALDH1A1ALOX5CALM1SMN1; SMN2
SCHEMBL7642003 0.84 MAPK1 (0.62) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL7637139 0.84 TDP1 (0.50) KMT2ATDP1ALDH1A1L3MBTL1ALOX5
SCHEMBL2422561 0.84 TDP1 (0.56) KMT2ATDP1ALDH1A1TSHRMAPK1
SCHEMBL27385468 0.84 LDHA (0.57) KMT2AALDH1A1ALOX5CALM1SMN1; 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 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