SCHEMBL7058682

SCHEMBL7058682

CCOC(=O)C(CCCCCCl)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CPB2 Q96IY4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL10577197 0.93 TDP1 (0.46) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL6080172 0.91 TDP1 (0.51) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL6080202 0.91 TDP1 (0.51) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL7641684 0.91 TDP1 (0.51) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL482827 0.91 TDP1 (0.46) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL14580010 0.89 TDP1 (0.53) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL1890789 0.87 TDP1 (0.49) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL1393537 0.85 FAAH (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL1393272 0.85 FAAH (0.47) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL873537 0.85 FAAH (0.47) TDP1KMT2AMEN1L3MBTL1MAPT

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 7 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
EP-0441371-B1 Process for preparing haloketo acid derivatives SUMITOMO CHEMICAL CO (JP) 1995-01-25 EP disclosed
US-5268501-A Process for preparing haloketo acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-07 US disclosed
US-5202467-A PROCESS FOR PREPARING HALOKETO ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-13 US disclosed
EP-0441371-A1 Process for preparing haloketo acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-14 EP disclosed