SCHEMBL7059631

SCHEMBL7059631

CC(=O)C(CCc1ccccc1)C(=O)OCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.41
▸ CTSG P08311 2/20 0.41
▸ CTRB1 P17538 2/20 0.41
▸ CMA1 P23946 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MMP8 P22894 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16732102 0.92 TSHR (0.44) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7057941 0.84 MMP1 (0.48) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7059676 0.83 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2MMP8KMT2A
SCHEMBL7062265 0.83 HCAR2 (0.47) ALDH1A1TSHRSMN1; SMN2MMP8HPGD
SCHEMBL2427317 0.83 MMP8 (0.54) ALDH1A1TSHRSMN1; SMN2MMP8MEN1
SCHEMBL17403337 0.82 TSHR (0.54) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7061793 0.81 TSHR (0.49) ALDH1A1TSHRSMN1; SMN2MMP8MEN1
SCHEMBL7061542 0.81 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MMP8MEN1
SCHEMBL7059117 0.81 LMNA (0.46) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL18653636 0.81 GRIK1 (0.46) PRSS1CTSGCTRB1CMA1TSHR

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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