SCHEMBL7056865

SCHEMBL7056865

CC(=O)C(C(=O)OCc1ccccc1)C(C)c1ccc2ccccc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ELANE P08246 1/20 0.42
CASP1 P29466 2/20 0.39
CTSB P07858 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCEH1 Q6PIU2 1/20 0.36
TACR1 P25103 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7056331 0.87 KMT2A (0.43) ALDH1A1LMNAHTTSMN1; SMN2NCEH1
SCHEMBL7059745 0.85 ALDH1A1 (0.49) ALDH1A1ELANECASP1CTSBLMNA
SCHEMBL7060991 0.84 LMNA (0.43) LMNASMN1; SMN2NCEH1CYP3A4CYP2C19
SCHEMBL7059751 0.83 LMNA (0.39) ALDH1A1LMNANPSR1SMN1; SMN2NCEH1
SCHEMBL7061338 0.82 ALDH1A1 (0.41) ALDH1A1ELANECASP1CTSBLMNA
SCHEMBL7060350 0.76 ALDH1A1 (0.53) ALDH1A1ELANECTSBLMNASMN1; SMN2
SCHEMBL7055439 0.76 ALDH1A1 (0.45) ALDH1A1ELANECTSBLMNATACR1
SCHEMBL7061456 0.76 ALDH1A1 (0.39) ALDH1A1CTSBLMNAHTTNPSR1
SCHEMBL7055378 0.75 CA1 (0.52) ALDH1A1ELANECTSBHTTNPSR1
SCHEMBL7059054 0.75 ALDH1A1 (0.47) ALDH1A1ELANECTSBPSEN1PSEN2

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