SCHEMBL7994085

SCHEMBL7994085

COC(=O)COc1cccc(CO)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARD Q03181 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7963964 0.86 LMNA (0.46) MAPK1TDP1L3MBTL1PPARDKMT2A
SCHEMBL10422938 0.85 PPARD (0.55) L3MBTL1PPARDKMT2ALMNACYP1A2
SCHEMBL7654284 0.84 L3MBTL1 (0.55) TDP1L3MBTL1PLA2G1BALDH1A1KDM4E
SCHEMBL1950706 0.84 KDM4E (0.49) MAPK1TDP1L3MBTL1KMT2ACYP1A2
SCHEMBL7104442 0.84 DDB1 (0.52) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL7104178 0.83 LMNA (0.50) MAPK1L3MBTL1PPARDKMT2ALMNA
SCHEMBL15518189 0.82 ALDH1A1 (0.58) MAPK1TDP1L3MBTL1KMT2ALMNA
SCHEMBL1706851 0.79 LMNA (0.45) MAPK1TDP1L3MBTL1KMT2ALMNA
SCHEMBL19086323 0.79 PLA2G1B (0.52) MAPK1TDP1L3MBTL1KMT2ALMNA
SCHEMBL31359444 0.79 PLA2G1B (0.52) MAPK1TDP1L3MBTL1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed