SCHEMBL9263239

SCHEMBL9263239

O=C(O)COC1CCCC(CCNS(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.46
PPARG P37231 1/20 0.44
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9266948 0.87 TBXA2R (0.49) TBXA2RPPARGPKMKMT2ATHRB
SCHEMBL9254044 0.87 TBXA2R (0.49) TBXA2RPPARGPKMKMT2ATHRB
SCHEMBL9254047 0.87 TBXA2R (0.49) TBXA2RPPARGPKMKMT2ATHRB
SCHEMBL9738306 0.79 TBXA2R (0.48) TBXA2RPPARGPKMKMT2ATHRB
Bicarbonate SCHEMBL9501977 0.79 TBXA2R (0.55) TBXA2RPPARGHSD17B10KMT2AALDH1A1
SCHEMBL9259764 0.76 GBA1 (0.50) TBXA2RPKMKMT2AALDH1A1
SCHEMBL9252366 0.76 MMP1 (0.48) TBXA2RPPARGPKMKMT2ATHRB
SCHEMBL9253452 0.76 TBXA2R (0.54) TBXA2RPPARGPKMKMT2ATHRB
SCHEMBL9259912 0.76 TBXA2R (0.54) TBXA2RPPARGPKMKMT2ATHRB
SCHEMBL9256799 0.76 TBXA2R (0.54) TBXA2RPPARGPKMKMT2ATHRB

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
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US claimed
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed