SCHEMBL7058718

SCHEMBL7058718

CCOC(=O)C(CCc1ccccc1C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIN1 Q13526 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6075503 0.92 TDP1 (0.57) TDP1MMP8ALDH1A1GAACYP4F2
SCHEMBL7060692 0.88 LMNA (0.42) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7060354 0.86 ALDH1A1 (0.47) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7061453 0.85 TDP1 (0.43) TDP1MMP8CYP4F2CYP4A11EPHX2
SCHEMBL7061330 0.85 ALDH1A1 (0.39) TDP1ALDH1A1GAAMEN1KMT2A
SCHEMBL5329552 0.84 TDP1 (0.49) TDP1MMP8ALDH1A1GAACYP4F2
SCHEMBL2427317 0.84 MMP8 (0.54) TDP1MMP8ALDH1A1MEN1KMT2A
SCHEMBL7057079 0.84 MTNR1A (0.50) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7060206 0.83 KMT2A (0.47) TDP1ALDH1A1KMT2A
SCHEMBL7062382 0.82 MEN1 (0.43) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2

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