SCHEMBL7060183

SCHEMBL7060183

CC(=O)C(C(=O)OCc1ccccc1)C(C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.43
CTSB P07858 1/20 0.43
CNR2 P34972 1/20 0.42
ELANE P08246 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MGLL Q99685 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40

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
SCHEMBL7059054 0.86 ALDH1A1 (0.47) ALDH1A1LMNACTSBCNR2ELANE
SCHEMBL7056978 0.85 CA1 (0.53) ALDH1A1PPARGPPARACNR2FABP7
SCHEMBL7059145 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL7055439 0.82 ALDH1A1 (0.45) ALDH1A1PPARGPPARALMNACTSB
SCHEMBL7056451 0.81 SMN1; SMN2 (0.49) ALDH1A1PPARGKDM4ELMNA
SCHEMBL7062436 0.80 ACHE (0.55) ALDH1A1
SCHEMBL7055378 0.78 CA1 (0.52) ALDH1A1CTSBELANE
SCHEMBL7061438 0.78 GAA (0.43) ALDH1A1KDM4ELMNA
SCHEMBL5021076 0.78 ALDH1A1 (0.58) ALDH1A1LMNACTSBELANESLC6A3
SCHEMBL16994619 0.78 ALDH1A1 (0.58) ALDH1A1LMNACTSBELANESLC6A3

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