SCHEMBL9732208

SCHEMBL9732208

CCOC(=O)CCC(CCI)CCCCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.38
STAT5B P51692 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB2 P07550 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL9732860 0.83 TBXAS1 (0.53) TBXAS1
SCHEMBL9732788 0.76 TBXAS1 (0.53) TBXAS1
SCHEMBL9709688 0.74 TBXAS1 (0.61) TBXAS1
SCHEMBL9709988 0.74 TBXAS1 (0.61) TBXAS1
SCHEMBL9734351 0.73 TBXAS1 (0.64) TBXAS1
SCHEMBL9709758 0.73 TBXAS1 (0.64) TBXAS1
SCHEMBL9709587 0.71 PSEN1 (0.35) STAT5BL3MBTL1CA12CA1CA2
SCHEMBL9178323 0.70 STAT5B (0.44) STAT5BTP53ALDH1A1POLBLMNA
SCHEMBL5033291 0.69 ADAMTS5 (0.43) KMT2AMEN1CA12CA1CA2
SCHEMBL9181881 0.69 STAT5B (0.45) STAT5BSMN1; SMN2POLBTAS2R14CA12

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-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed