SCHEMBL7640271

SCHEMBL7640271

CCOC(=O)C(CCC(C)c1ccccc1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MMP8 P22894 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PIN1 Q13526 1/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 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
SCHEMBL7640821 0.88 TDP1 (0.51) TDP1MEN1KMT2AMMP8PIN1
SCHEMBL7635729 0.86 KMT2A (0.50) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL7635597 0.85 ALDH1A1 (0.50) TDP1KMT2AALDH1A1
SCHEMBL7641416 0.85 TSHR (0.41) KMT2AALDH1A1KDM4ETSHRPOLB
SCHEMBL7644647 0.84 TDP1 (0.46) TDP1MEN1KMT2AMMP8PIN1
SCHEMBL7252518 0.84 RIPK1 (0.47) MEN1KMT2APOLB
SCHEMBL7635745 0.82 TDP1 (0.47) TDP1MEN1KMT2AMMP8ALDH1A1
SCHEMBL10875471 0.82 TDP1 (0.56) TDP1MEN1KMT2AMMP8ALDH1A1
SCHEMBL2427317 0.78 MMP8 (0.54) TDP1MEN1KMT2AMMP8ALDH1A1
SCHEMBL29069352 0.76 ALDH1A1 (0.52) MEN1KMT2AMMP8ALDH1A1KDM4E

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