SCHEMBL8707244

SCHEMBL8707244

CCOC(=O)CCc1cc(OC(=O)CC)cc(Oc2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.46
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
P2RX3 P56373 2/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL8309682 0.87 TBXAS1 (0.60) TBXAS1P2RX3CYP4F2CYP4A11
SCHEMBL8307041 0.86 TBXAS1 (0.49) TBXAS1LMNATDP1P2RX3CYP4F2
SCHEMBL8702343 0.85 TBXAS1 (0.47) TBXAS1
SCHEMBL8305260 0.84 TBXAS1 (0.48) TBXAS1LMNATDP1P2RX3CYP4F2
SCHEMBL10663180 0.83 CYP4F2 (0.54) TBXAS1P2RX3CYP4F2CYP4A11CCNC
SCHEMBL8707246 0.81 TBXAS1 (0.46) TBXAS1LMNATDP1P2RX3CYP4F2
SCHEMBL8308674 0.78 TBXAS1 (0.49) TBXAS1P2RX3RAB9AKMT2A
SCHEMBL8309271 0.78 TBXAS1 (0.79) TBXAS1LMNA
SCHEMBL8707662 0.77 CYP4F2 (0.44) TBXAS1LMNACYP4F2CYP4A11MAPT
SCHEMBL3957320 0.76 CYP4F2 (0.55) TBXAS1TDP1CYP4F2CYP4A11KMT2A

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
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed