SCHEMBL7635789

SCHEMBL7635789

Cc1cccc(OCCCCC(=NO)C(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 2/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CTBP2 P56545 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7637073 0.88 HDAC1 (0.47) SMN1; SMN2PPARA
SCHEMBL7642006 0.87 L3MBTL1 (0.46) KDM4EHPGDKMT2AMEN1PPARA
SCHEMBL7636030 0.87 L3MBTL1 (0.53) KDM4EMAPK1HPGDKMT2AMEN1
SCHEMBL7639876 0.87 HDAC1 (0.49) PPARA
SCHEMBL7635842 0.87 HDAC1 (0.49) PPARA
SCHEMBL7640248 0.86 KDM4E (0.56) KDM4EMAPK1HPGDKMT2AMEN1
SCHEMBL7642342 0.84 TAAR1 (0.47) MAPK1HPGDSMN1; SMN2TDP1L3MBTL1
SCHEMBL7640522 0.84 TSHR (0.54) KDM4EHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL7640527 0.84 TSHR (0.54) KDM4EHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL10978617 0.84 CTBP2 (0.49) KDM4EKMT2AMEN1CTBP2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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