Ifetroban

Ifetroban

SCHEMBL16212975

CCCCCNC(=O)c1coc([C@H]2[C@@H](Cc3ccccc3CCC(=O)O)[C@@H]3CC[C@H]2O3)n1.[KH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.98

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
Bms-180291 SCHEMBL16212977 1.00 TBXA2R (0.98) TBXA2R
Ifetroban SCHEMBL30218601 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL29502980 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL28136 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL9589119 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL28137 0.99 TBXA2R (1.00) TBXA2R
Ifetroban SCHEMBL28135 0.99 TBXA2R (1.00) TBXA2R
SCHEMBL8918573 0.98 TBXA2R (1.00) TBXA2R
SCHEMBL8918962 0.98 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL362595 0.98 TBXA2R (0.98) TBXA2R

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-2991647-A1 DEUTERATED AMLEXANOX The Regents Of The University Of Michigan (US) 2016-03-09 EP disclosed
WO-2014179734-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-06 WO disclosed