SCHEMBL10461981

SCHEMBL10461981

CCOC(=O)CCc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
TBXAS1 P24557 1/20 0.56
MAPT P10636 1/20 0.54
PPARG P37231 3/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRMT1 Q99873 2/20 0.51
AKR1C3 P42330 1/20 0.51
SGMS1 Q86VZ5 1/20 0.51

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
SCHEMBL10462371 0.93 TBXA2R (0.59) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL10463686 0.90 TBXA2R (0.69) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL10461761 0.90 TBXA2R (0.56) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL10461966 0.88 TBXA2R (0.54) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL10460671 0.88 ALDH1A1 (0.62) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11106768 0.88 ALDH1A1 (0.64) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL10464058 0.87 TBXA2R (0.53) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL8593388 0.87 TBXAS1 (0.58) TBXA2RALDH1A1LMNATBXAS1MAPT
SCHEMBL9129860 0.86 TSHR (0.65) TBXA2RMEN1KMT2AALDH1A1TBXAS1
SCHEMBL10463281 0.86 AKR1C3 (0.56) TBXA2RMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed
US-4443477-A ANTICOAGULANTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1984-04-17 US disclosed
EP-0031954-B1 SULPHONAMIDES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1984-03-14 EP disclosed