SCHEMBL7643131

SCHEMBL7643131

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MTNR1A P48039 2/20 0.63
MTNR1B P49286 2/20 0.63
CHRM2 P08172 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51

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
SCHEMBL7642001 0.87 MTNR1A (0.56) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL28262492 0.86 HDAC1 (0.66) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7640089 0.86 HDAC1 (0.55) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7641816 0.85 CTBP2 (0.58) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7640983 0.85 HDAC1 (0.54) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7758273 0.84 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL9627098 0.84 MTNR1A (0.67) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL934349 0.84 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL29669893 0.84 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL3171909 0.83 HDAC1 (0.62) HDAC1HDAC6MTNR1AMTNR1BCHRM2

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