SCHEMBL9718367

SCHEMBL9718367

COC(=O)CCC(=O)c1ccc(CCNS(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.58
TBXA2R P21731 15/20 0.58

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
SCHEMBL9718380 0.88 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL9718385 0.82 ALDH1A1 (0.64) TBXAS1TBXA2R
SCHEMBL9718429 0.81 TBXA2R (0.59) TBXAS1TBXA2R
SCHEMBL9718387 0.81 ALDH1A1 (0.62) TBXAS1TBXA2R
SCHEMBL1403453 0.78 ALDH1A1 (0.54) TBXAS1TBXA2R
SCHEMBL9718405 0.78 PKM (0.57)
SCHEMBL9659259 0.75 ALDH1A1 (0.71) TBXAS1TBXA2R
SCHEMBL6863607 0.74 ALDH1A1 (0.60) TBXAS1
SCHEMBL30109394 0.74 ALDH1A1 (0.60) TBXAS1
SCHEMBL10463166 0.73 ALDH1A1 (0.61) TBXAS1TBXA2R

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