SCHEMBL4585378

SCHEMBL4585378

CC(=O)OCc1ccccc1[O]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.38
IDH1 O75874 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL5255523 0.87 ALDH1A1 (0.65) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL11580414 0.82 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7675499 0.80 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL2385885 0.80 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7185506 0.80 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL1984327 0.80 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30417552 0.80 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL10583241 0.79 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL10172753 0.79 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL3231685 0.78 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1SMN1; SMN2KDM4E

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-1841761-A4 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2008-10-29 EP disclosed
EP-1841761-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2007-10-10 EP disclosed
WO-2006080591-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2006-08-03 WO disclosed