SCHEMBL7640145

SCHEMBL7640145

Cc1ccc(C(CCC(=NO)C(=O)OCc2ccccc2)OC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CTBP2 P56545 1/20 0.36
HPGD P15428 1/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALOX5 P09917 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL7644238 0.93 ALDH1A1 (0.39) ALDH1A1CTBP2CTSLALOX5
SCHEMBL7634845 0.86 LMNA (0.44) LMNAALDH1A1HPGDCTSKCTSL
SCHEMBL7640366 0.86 KYAT1 (0.39) CTBP2MAPTFFAR1ALOX5UTS2R
SCHEMBL7635454 0.84 APOBEC3A (0.41) LMNAALDH1A1MAPT
SCHEMBL7637369 0.83 CTBP2 (0.35) ALDH1A1CTBP2MAPTFFAR1ALOX5
SCHEMBL7637375 0.83 CTBP2 (0.35) ALDH1A1CTBP2MAPTFFAR1ALOX5
SCHEMBL7636473 0.83 CTBP2 (0.35) ALDH1A1CTBP2HPGDCNR1CNR2
SCHEMBL7641751 0.82 ALDH1A1 (0.41) ALDH1A1CTBP2CTSL
SCHEMBL7641748 0.82 ALDH1A1 (0.41) ALDH1A1CTBP2CTSL
SCHEMBL7635677 0.80 ALDH1A1 (0.46) LMNAALDH1A1CTBP2CTSK

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