SCHEMBL7642008

SCHEMBL7642008

COC(=O)C(=O)CCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
PTPN1 P18031 2/20 0.38
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
BLM P54132 2/20 0.36
KDM1A O60341 1/20 0.36
TSHR P16473 3/20 0.36

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
SCHEMBL7640025 0.94 KDM4C (0.43) CA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7641253 0.92 KDM4C (0.46) CA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7635271 0.86 CA1 (0.52) CA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7641001 0.81 CA1 (0.41) CA1PTPN1KDM4CKDM4APHF8
SCHEMBL17956902 0.79 ALDH1A1 (0.38) CA1PTPN1KDM4CKDM4APHF8
SCHEMBL7642813 0.79 FAAH (0.50) CA1PTPN1KDM4CKDM4APHF8
SCHEMBL130826 0.77 TSHR (0.64) CA1PTPN1KDM4CTSHRMEN1
SCHEMBL28373744 0.77 CA1 (0.50) CA1PTPN1KDM4CKDM4APHF8
SCHEMBL7634077 0.76 APOBEC3A (0.37) CA1PTPN1KDM4CKDM4APHF8
SCHEMBL16046411 0.75 TSHR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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