SCHEMBL7635951

SCHEMBL7635951

O=C(Cc1ccccc1C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7641747 0.82 POLQ (0.54) POLQALDH1A1IDO1MAOBMAOA
SCHEMBL7641604 0.81 ALDH1A1 (0.49) SIGMAR1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7637029 0.79 POLQ (0.52) POLQSIGMAR1ALDH1A1IDO1MAOB
SCHEMBL7641201 0.78 PPARG (0.50) SIGMAR1ALDH1A1MAPK1L3MBTL1RXRA
SCHEMBL3862724 0.78 POLQ (0.58) POLQSIGMAR1ALDH1A1IDO1MAOB
SCHEMBL7636977 0.78 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL7633415 0.78 ALDH1A1 (0.49) SIGMAR1ALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL7638993 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL7634852 0.78 ALDH1A1 (0.50) SIGMAR1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7643042 0.78 ALDH1A1 (0.49) SIGMAR1ALDH1A1MAPK1L3MBTL1KMT2A

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