SCHEMBL9310795

SCHEMBL9310795

Cc1ccc(S(=O)(=O)Nc2ccc(C(CCCCC(=O)O)c3cccnc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.69
TBXA2R P21731 3/20 0.61
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL8882712 0.85 TBXAS1 (0.83) TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL9733045 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL9195934 0.80 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL8884111 0.76 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL8883679 0.76 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8884653 0.76 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL9311379 0.75 TBXAS1 (0.83) TBXAS1TBXA2RALDH1A1
SCHEMBL9311375 0.75 TBXAS1 (0.83) TBXAS1TBXA2RALDH1A1
SCHEMBL8886110 0.75 TBXAS1 (0.84) TBXAS1TBXA2R
SCHEMBL8882120 0.74 TBXAS1 (0.65) 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
US-5286736-A Thromboxane antagonists and thromboxane synthetase inhibitors DR. KARL THOMAE GMBH (DE) 1994-02-15 US disclosed
EP-0487095-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed