SCHEMBL7062732

SCHEMBL7062732

COC(=O)C(/C=N\O)CCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.43
LDHA P00338 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
CTBP2 P56545 1/20 0.41

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
SCHEMBL7637038 0.92 F2RL1 (0.46) F2RL1ALDH1A1SMN1; SMN2GLAKMT2A
SCHEMBL7061320 0.88 ALDH1A1 (0.43) F2RL1ALDH1A1SMN1; SMN2GLAKMT2A
SCHEMBL7055606 0.87 LDHA (0.50) F2RL1ALDH1A1SMN1; SMN2HTTTAAR1
SCHEMBL7060200 0.86 GAA (0.49) ALDH1A1SMN1; SMN2KMT2AHTTGAA
SCHEMBL7057252 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AGAARECQL
SCHEMBL7059312 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL7642710 0.82 GLA (0.47) F2RL1ALDH1A1GLAKMT2APOLB
SCHEMBL7641732 0.81 ALOX5 (0.42) F2RL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL7060926 0.78 MTNR1A (0.48) ALDH1A1KMT2AHTTTAAR1GAA
SCHEMBL7638413 0.78 L3MBTL1 (0.46) ALDH1A1KMT2ARECQL

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