SCHEMBL9709587

SCHEMBL9709587

C=CCC(CCC(=O)OC(C)(C)C)COCCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
NPSR1 Q6W5P4 1/20 0.32
PTGER2 P43116 2/20 0.31
STAT5B P51692 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30
TBXA2R P21731 1/20 0.30
TBXAS1 P24557 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9709648 0.79 TBXAS1 (0.46) TBXA2RTBXAS1
SCHEMBL9709978 0.73 TBXAS1 (0.54) TBXA2RTBXAS1
SCHEMBL9709476 0.72 USP2 (0.31) L3MBTL1
SCHEMBL9732208 0.71 CCKBR (0.38) STAT5BCA12CA1CA2CA14
SCHEMBL5033278 0.69 ADAMTS5 (0.42) CA12CA1CA2CA14
SCHEMBL5033295 0.68 ADAMTS5 (0.43) CA12CA1CA2CA14
SCHEMBL9732860 0.66 TBXAS1 (0.53) TBXA2RTBXAS1
SCHEMBL14328707 0.66 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14328708 0.65 STAT5B (0.40) PTGER2STAT5BCA12CA1CA2
SCHEMBL5708145 0.65 C5AR1 (0.49) NPSR1STAT5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed