SCHEMBL7055434

SCHEMBL7055434

CCCC(=O)C(CCc1ccccc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.48
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
CMA1 P23946 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.44
MMP8 P22894 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CTSK P43235 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7059341 0.90 HPGD (0.48) SMN1; SMN2CTSKHPGDMEN1KMT2A
SCHEMBL7055651 0.89 EPHX2 (0.48) CTSKHPGDMEN1KMT2ACYP1A2
SCHEMBL4693074 0.88 SMN1; SMN2 (0.50) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL7061349 0.88 SMN1; SMN2 (0.49) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL8904082 0.86 PRSS1 (0.50) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL7056381 0.86 TSHR (0.53) SMN1; SMN2TSHRMMP8TDP1HPGD
SCHEMBL6819960 0.85 MAPT (0.46) SMN1; SMN2CTSKLMNAMAPT
SCHEMBL7061793 0.81 TSHR (0.49) SMN1; SMN2TSHRMMP8HPGDMEN1
SCHEMBL7058224 0.80 TSHR (0.51) SMN1; SMN2TSHRMMP8HPGDMEN1
SCHEMBL7751974 0.80 TSHR (0.47) SMN1; SMN2TSHRMMP8HPGDMEN1

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