SCHEMBL9254044

SCHEMBL9254044

O=C(O)COC1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.49
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.42
MGLL Q99685 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL9254047 1.00 TBXA2R (0.49) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9266948 1.00 TBXA2R (0.49) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9738306 0.90 TBXA2R (0.48) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9259764 0.89 GBA1 (0.50) TBXA2RALDH1A1PKMMEN1KMT2A
SCHEMBL9252366 0.89 MMP1 (0.48) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9260856 0.87 TSHR (0.50) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9260852 0.87 TSHR (0.50) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9263239 0.87 TBXA2R (0.46) TBXA2RALDH1A1PKMTHRBKMT2A
SCHEMBL9253452 0.84 TBXA2R (0.54) TBXA2RALDH1A1PKMTHRBMEN1
SCHEMBL9259912 0.84 TBXA2R (0.54) TBXA2RALDH1A1PKMTHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US claimed
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP claimed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US claimed
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 EP 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
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 EP disclosed