SCHEMBL7058520

SCHEMBL7058520

O=C(OCc1ccccc1)/C(CCc1cccc2ccccc12)=N\O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CDYL Q9Y232 1/20 0.44
CASP1 P29466 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 2/20 0.41
MTNR1A P48039 2/20 0.40
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL7058522 1.00 FFAR1 (0.45) FFAR1AKR1B1KDM4ECDYLCASP1
SCHEMBL7061382 0.86 CYP1A2 (0.39) FFAR1AKR1B1TDP1KMT2AMEN1
SCHEMBL7061384 0.86 CYP1A2 (0.39) FFAR1AKR1B1TDP1KMT2AMEN1
SCHEMBL7062400 0.86 NCEH1 (0.40) FFAR1AKR1B1KMT2AMEN1
SCHEMBL7062404 0.86 NCEH1 (0.40) FFAR1AKR1B1KMT2AMEN1
SCHEMBL7061764 0.85 CDYL (0.51) KDM4ECDYLTDP1MCL1MTNR1A
SCHEMBL7061767 0.85 CDYL (0.51) KDM4ECDYLTDP1MCL1MTNR1A
SCHEMBL7060425 0.84 FFAR1 (0.49) FFAR1AKR1B1KDM4ECDYLCASP1
SCHEMBL7061545 0.82 TDP1 (0.50) FFAR1TDP1KMT2A
SCHEMBL7056483 0.82 MAPT (0.38) KDM4EKMT2AMEN1

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 3 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