SCHEMBL7640165

SCHEMBL7640165

COC(=O)C(=O)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
EPHX2 P34913 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49

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
SCHEMBL7060197 0.84 PLAAT3 (0.58) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL5792784 0.84 MAPT (0.49) CTBP2MEN1KMT2AALDH1A1EPHX2
SCHEMBL378633 0.83 SLC7A5 (0.55) CTBP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7634196 0.83 PLAAT3 (0.59) MEN1KMT2AALDH1A1HTR3EHTR3B
SCHEMBL7644571 0.83 HPGD (0.49) CTBP2MEN1KMT2AALDH1A1EPHX2
SCHEMBL7642195 0.81 CTBP2 (0.51) CTBP2MEN1KMT2AALDH1A1MAOB
SCHEMBL7638956 0.80 CTBP2 (0.57) CTBP2HDAC1HDAC6MEN1KMT2A
SCHEMBL7643126 0.80 CYP2D6 (0.47) MEN1KMT2AMAOBTAAR1
SCHEMBL27371808 0.80 LOXL2 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7641680 0.80 EGFR (0.51) HPGDMAOBTAAR1

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