SCHEMBL7059117

SCHEMBL7059117

CCCOC(=O)C(CCc1ccccc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CTSK P43235 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MMP8 P22894 2/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ CTSG P08311 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL16732283 0.92 LMNA (0.50) LMNASMN1; SMN2ALDH1A1TDP1CTSK
SCHEMBL7058991 0.91 CTSK (0.49) LMNAALDH1A1TDP1CTSKTSHR
SCHEMBL7062265 0.91 HCAR2 (0.47) LMNASMN1; SMN2ALDH1A1TDP1CTSK
SCHEMBL7061562 0.90 CTSK (0.48) LMNASMN1; SMN2ALDH1A1TDP1CTSK
SCHEMBL7055354 0.89 TSHR (0.49) LMNASMN1; SMN2ALDH1A1TDP1CTSK
SCHEMBL2427317 0.88 MMP8 (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMMP8
SCHEMBL7059676 0.84 ALDH1A1 (0.56) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL31147040 0.83 TDP1 (0.54) LMNASMN1; SMN2ALDH1A1TDP1CTSK
SCHEMBL16732115 0.83 TDP1 (0.52) LMNASMN1; SMN2ALDH1A1TDP1CTSK
SCHEMBL7061793 0.83 TSHR (0.49) SMN1; SMN2ALDH1A1TSHRMMP8

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
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