SCHEMBL8544402

SCHEMBL8544402

COC(=O)CCn1cc(Cc2cccnc2)c2cc(CCC(=O)O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.56
PLA2G4A P47712 7/20 0.49

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
Trifluoroacetic Acid SCHEMBL9221603 0.96 TBXAS1 (0.55) TBXAS1PLA2G4A
SCHEMBL8538159 0.91 TBXAS1 (0.50) TBXAS1PLA2G4A
SCHEMBL8544258 0.89 TBXAS1 (0.47) TBXAS1PLA2G4A
Trifluoroacetic Acid SCHEMBL9034373 0.89 TBXAS1 (0.49) TBXAS1PLA2G4A
SCHEMBL8544039 0.86 TBXAS1 (0.52) TBXAS1
SCHEMBL8543141 0.85 TBXAS1 (0.46) TBXAS1
SCHEMBL8541177 0.85 TBXAS1 (0.54) TBXAS1
SCHEMBL8537545 0.85 CYP3A4 (0.47) TBXAS1
SCHEMBL8580528 0.84 TBXAS1 (0.51) TBXAS1
SCHEMBL8544233 0.83 TBXAS1 (0.50) TBXAS1PLA2G4A

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed