SCHEMBL7644571

SCHEMBL7644571

CC(C)OC(=O)C(=O)Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
CTBP2 P56545 1/20 0.48
PNMT P11086 1/20 0.46
TSHR P16473 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
PIK3CA P42336 1/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL7058669 0.85 PLAAT3 (0.51) HPGDALOX15PNMTALDH1A1KMT2A
SCHEMBL7635523 0.84 PLAAT3 (0.52) HPGDALOX15PNMTHTR3EHTR3B
SCHEMBL7641266 0.83 CTBP2 (0.48) HPGDCTBP2TSHRALDH1A1MAOB
SCHEMBL7640165 0.83 CTBP2 (0.51) HPGDCTBP2HTR3EHTR3BHTR3A
SCHEMBL7641615 0.82 TSHR (0.45) ALOX15TSHRMAOAMAOBMEN1
SCHEMBL7638546 0.82 TSHR (0.45) TSHRMAOAMAOB
SCHEMBL7641964 0.81 KMT2A (0.46) TSHRALDH1A1MEN1KMT2A
SCHEMBL7638385 0.81 CTBP2 (0.52) CTBP2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7642338 0.80 TSHR (0.68) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL7640751 0.80 TSHR (0.50) PNMTTSHRPIK3CAKMT2AHTT

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