SCHEMBL7603467

SCHEMBL7603467

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 7/20 0.45
ESR2 Q92731 5/20 0.45
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAPT P10636 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 5/20 0.39
PTGS2 P35354 4/20 0.39
CYP2C9 P11712 3/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39

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
SCHEMBL6461974 0.80 L3MBTL1 (0.62) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL28017822 0.80 L3MBTL1 (0.62) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL11749792 0.79 ESR1 (0.56) GAAESR1ESR2LMNATDP1
SCHEMBL3667647 0.77 ESR1 (0.50) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL3725347 0.77 ESR1 (0.50) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL3873604 0.77 ESR1 (0.50) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL22668298 0.77 MMP9 (0.54) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL6576834 0.77 ESR1 (0.50) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL3554144 0.76 L3MBTL1 (0.54) L3MBTL1GAAALDH1A1ESR1ESR2
SCHEMBL31522488 0.76 FFAR1 (0.61) ALDH1A1ESR1ESR2LMNATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed