SCHEMBL6154855

SCHEMBL6154855

[CH2]c1ccc(CO)cc1COC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
KMT2A Q03164 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PPARG P37231 1/20 0.48
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKCA P17252 1/20 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
SCHEMBL6472102 0.87 TDP1 (0.57) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL2873628 0.79 KMT2A (0.43) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL5153381 0.78 KMT2A (0.79) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6875978 0.76 KMT2A (0.51) TDP1KMT2ASLC6A2SLC6A3PPARG
Benzyl Benzoate SCHEMBL1396786 0.75 KMT2A (0.85) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6243415 0.75 PPARG (0.63) TDP1KMT2ASLC6A2SLC6A3PPARG
Benzyl Benzoate SCHEMBL18393514 0.75 KMT2A (0.85) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL15012759 0.74 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL5085480 0.74 PPARG (0.71) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL5085718 0.74 KMT2A (0.92) TDP1KMT2ASLC6A2SLC6A3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed