SCHEMBL7060425

SCHEMBL7060425

O=C(CCc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CDYL Q9Y232 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CASP1 P29466 3/20 0.45
GPR84 Q9NQS5 1/20 0.45
MCL1 Q07820 2/20 0.44
MTNR1A P48039 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
P2RX7 Q99572 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL7639148 0.86 TDP1 (0.57) FFAR1AKR1B1KDM4ETDP1CASP1
SCHEMBL21443106 0.86 CDYL (0.59) FFAR1AKR1B1KDM4ECDYLTDP1
SCHEMBL7058520 0.84 FFAR1 (0.45) FFAR1AKR1B1KDM4ECDYLTDP1
SCHEMBL7058522 0.84 FFAR1 (0.45) FFAR1AKR1B1KDM4ECDYLTDP1
SCHEMBL7058038 0.84 NCEH1 (0.43) FFAR1AKR1B1TDP1KMT2AMEN1
SCHEMBL7056873 0.84 CYP1A2 (0.42) FFAR1AKR1B1TDP1KMT2AALDH1A1
SCHEMBL10447519 0.84 TDP1 (0.53) FFAR1AKR1B1TDP1CASP1KMT2A
SCHEMBL7062411 0.83 CDYL (0.55) KDM4ECDYLTDP1GPR84MCL1
SCHEMBL7061346 0.81 MAPT (0.41) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL7060700 0.80 TDP1 (0.56) FFAR1TDP1KMT2AALDH1A1

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