SCHEMBL7963964

SCHEMBL7963964

COC(=O)COc1cccc(CCl)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARD Q03181 1/20 0.44
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
PLA2G1B P04054 1/20 0.40

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
SCHEMBL7994085 0.86 MAPK1 (0.46) LMNAMAPK1TDP1L3MBTL1PPARD
SCHEMBL6587328 0.86 PPARD (0.53) LMNAL3MBTL1PPARDKMT2ACYP1A2
SCHEMBL15518189 0.81 ALDH1A1 (0.58) LMNAMAPK1TDP1L3MBTL1KMT2A
SCHEMBL1706851 0.78 LMNA (0.45) LMNAMAPK1TDP1L3MBTL1KMT2A
SCHEMBL7997358 0.77 MEN1 (0.46) L3MBTL1KMT2ACYP1A2MEN1ALDH1A1
SCHEMBL10506317 0.76 SMN1; SMN2 (0.60) LMNAL3MBTL1PPARDKMT2ACYP1A2
SCHEMBL27298156 0.76 LMNA (0.54) LMNAMAPK1TDP1L3MBTL1KMT2A
SCHEMBL11814669 0.76 PPARD (0.60) LMNAL3MBTL1PPARDKMT2ACYP1A2
SCHEMBL7104178 0.76 LMNA (0.50) LMNAMAPK1L3MBTL1PPARDKMT2A
SCHEMBL10193137 0.76 PPARD (0.59) LMNAL3MBTL1PPARDKMT2ACYP1A2

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed