SCHEMBL9718429

SCHEMBL9718429

COC(=O)CCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.59
TBXAS1 P24557 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PRMT1 Q99873 2/20 0.55
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AKR1C3 P42330 1/20 0.52
PPARG P37231 3/20 0.52
SGMS1 Q86VZ5 1/20 0.49

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
SCHEMBL10461761 0.90 TBXA2R (0.56) TBXA2RTBXAS1MEN1KMT2APRMT1
SCHEMBL9718385 0.89 ALDH1A1 (0.64) TBXA2RTBXAS1MEN1KMT2AALDH1A1
SCHEMBL9718387 0.88 ALDH1A1 (0.62) TBXA2RTBXAS1MEN1KMT2AALDH1A1
SCHEMBL9659280 0.87 TBXA2R (0.70) TBXA2RTBXAS1MEN1KMT2APRMT1
SCHEMBL10697737 0.87 TBXA2R (0.63) TBXA2RMEN1KMT2APRMT1ALDH1A1
SCHEMBL10460469 0.84 TBXA2R (0.66) TBXA2RTBXAS1MEN1KMT2APRMT1
SCHEMBL10461595 0.84 ALDH1A1 (0.54) TBXA2RTBXAS1MEN1KMT2APRMT1
SCHEMBL10461966 0.84 TBXA2R (0.54) TBXA2RTBXAS1MEN1KMT2APRMT1
SCHEMBL10462267 0.82 TBXA2R (0.67) TBXA2RTBXAS1MEN1KMT2APRMT1
SCHEMBL9718367 0.81 TBXAS1 (0.58) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed
EP-0194548-A2 Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-09-17 EP disclosed