SCHEMBL8701528

SCHEMBL8701528

CCC(=O)Oc1cc(Cc2cccnc2)cc(CC(C)C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.49
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 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
SCHEMBL8309401 0.82 TBXAS1 (0.52) TBXAS1ALDH1A1LMNANLRP3
SCHEMBL8703687 0.81 TBXAS1 (0.57) TBXAS1ALDH1A1LMNA
SCHEMBL8308559 0.81 TBXAS1 (0.58) TBXAS1
SCHEMBL8707364 0.80 LTA4H (0.43) TBXAS1LTA4HLMNASMN1; SMN2HTT
SCHEMBL16508902 0.79 TBXAS1 (0.57) TBXAS1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8308276 0.79 TBXAS1 (0.49) TBXAS1
SCHEMBL8702343 0.79 TBXAS1 (0.47) TBXAS1
SCHEMBL8309224 0.75 CYP3A4 (0.48) TBXAS1
SCHEMBL8704645 0.73 TBXAS1 (0.69) TBXAS1LMNATP53
SCHEMBL8706682 0.73 TBXAS1 (0.70) TBXAS1LMNATP53

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