SCHEMBL7640311

SCHEMBL7640311

CCOC(=O)C(CCCCOc1ccccc1C)C(C)=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.80
L3MBTL1 Q9Y468 5/20 0.59
MAPK1 P28482 3/20 0.50
PTPN1 P18031 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL7426930 0.90 TDP1 (0.82) TDP1L3MBTL1MAPK1PTPN1MEN1
SCHEMBL7635568 0.89 TDP1 (0.63) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7635821 0.87 TDP1 (0.61) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7644520 0.87 TDP1 (0.60) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7636963 0.84 TDP1 (0.56) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7638526 0.83 TDP1 (0.78) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL11565405 0.82 TDP1 (0.76) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7636957 0.82 TDP1 (0.76) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7644500 0.82 TDP1 (0.76) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7638974 0.79 TDP1 (0.86) TDP1L3MBTL1MAPK1PTPN1MEN1

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