SCHEMBL6869013

SCHEMBL6869013

OC(O)C(Cc1ccc(COc2ccccc2)cc1)C(O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.56
PPARG P37231 2/20 0.55
PPARA Q07869 2/20 0.55
APP P05067 1/20 0.55
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LTA4H P09960 4/20 0.51
LAP3 P28838 1/20 0.51
FFAR4 Q5NUL3 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
EPHX2 P34913 1/20 0.47
MAOB P27338 2/20 0.47

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
SCHEMBL19111750 0.83 FFAR1 (0.53) FFAR1PPARGPPARAAPPLMNA
SCHEMBL6869166 0.81 LTA4H (0.57) FFAR1PPARGPPARALTA4HFFAR4
SCHEMBL850999 0.80 APP (0.78) FFAR1APPLMNACYP1A2PTGS1
SCHEMBL14210013 0.79 PPARA (0.68) FFAR1PPARGPPARAAPPLTA4H
SCHEMBL19143629 0.78 LTA4H (0.70) FFAR1PPARGPPARALMNACYP1A2
SCHEMBL9637755 0.77 MAOB (0.59) FFAR1PPARGPPARALMNACYP1A2
SCHEMBL10701955 0.77 LMNA (0.59) FFAR1PPARGPPARALMNACYP1A2
Benzylphenylether SCHEMBL10474044 0.77 LMNA (0.64) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL1834595 0.77 LMNA (0.83) FFAR1APPLMNACYP1A2PTGS1
SCHEMBL10609652 0.76 LMNA (0.75) FFAR1APPLMNACYP1A2PTGS1

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
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed