SCHEMBL9872673

SCHEMBL9872673

CC(CCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.60
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TBXA2R P21731 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL27437585 0.85 TBXAS1 (0.57) TBXAS1HTTALDH1A1TP53GAA
SCHEMBL9577200 0.81 ALDH1A1 (0.68) ALDH1A1TP53GAAMEN1KMT2A
SCHEMBL9871358 0.79 TBXAS1 (0.54) TBXAS1HTTALDH1A1TP53GAA
SCHEMBL9870419 0.79 TBXAS1 (0.54) TBXAS1HTTALDH1A1TP53GAA
SCHEMBL9872413 0.79 TBXA2R (0.75) TBXAS1ALDH1A1TP53GAATBXA2R
SCHEMBL9871736 0.79 TBXA2R (0.75) TBXAS1ALDH1A1TP53GAATBXA2R
SCHEMBL9879916 0.79 TBXA2R (0.75) TBXAS1ALDH1A1TP53GAATBXA2R
SCHEMBL9870095 0.79 TBXA2R (0.75) TBXAS1ALDH1A1TP53GAATBXA2R
SCHEMBL9870233 0.79 TBXA2R (0.75) TBXAS1ALDH1A1TP53GAATBXA2R
SCHEMBL9869922 0.79 TBXA2R (0.75) TBXAS1ALDH1A1TP53GAATBXA2R

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
US-4997847-A Thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (DE) 1991-03-05 US disclosed
EP-0304271-A2 Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-22 EP disclosed