SCHEMBL7637375

SCHEMBL7637375

Cc1ccc(C(CCC(=NO)C(=O)OC(C)C)OC(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.33
ALOX5 P09917 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
STAT3 P40763 1/20 0.31
MAPT P10636 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL7637369 1.00 CTBP2 (0.35) CTBP2UTS2RNPC1HTTRAB9A
SCHEMBL7636473 0.90 CTBP2 (0.35) CTBP2UTS2RNPC1HTTRAB9A
SCHEMBL7640366 0.89 KYAT1 (0.39) CTBP2UTS2RHTTRAB9AKMT2A
SCHEMBL7642725 0.88 TSHR (0.37) CTBP2HTTKMT2ASMN1; SMN2MAPT
SCHEMBL7642720 0.88 TSHR (0.37) CTBP2HTTKMT2ASMN1; SMN2MAPT
SCHEMBL7640867 0.84 UTS2R (0.37) UTS2RSMN1; SMN2ACHEALOX5NPSR1
SCHEMBL7640145 0.83 LMNA (0.39) CTBP2UTS2RALOX5ALDH1A1MAPT
SCHEMBL7634918 0.79 AOC3 (0.39) CTBP2UTS2RKMT2A
SCHEMBL7635454 0.79 APOBEC3A (0.41) KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7634116 0.78 TSHR (0.37) CTBP2HTTKMT2ASMN1; SMN2MAPT

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