SCHEMBL7496145

SCHEMBL7496145

CCc1cccc(C)c1COc1cccn2c(CO)c(C)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.64
ATP4B P51164 2/20 0.64
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 2/20 0.61
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GUCY1B2 O75343 3/20 0.46

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
SCHEMBL7504054 0.91 CYP3A4 (0.73) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL7216941 0.86 CYP3A4 (0.81) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL1814241 0.84 ATP4A (0.60) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10561303 0.83 CYP1A2 (0.56) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL7495209 0.82 SMN1; SMN2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1814178 0.80 ATP4A (0.55) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL7499510 0.80 ATP4A (0.66) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL1818160 0.79 ATP4A (0.53) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2189537 0.79 ATP4A (0.71) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL7502903 0.78 ATP4A (0.52) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed