SCHEMBL11033906

SCHEMBL11033906

Cc1c(-c2cccnc2)n(CCCCCC(=O)O)c2ccc(CCC(=O)O)cc12

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.75
PTGIR P43119 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL11006110 0.88 TBXAS1 (0.78) TBXAS1PTGIRESR1ESR2
SCHEMBL11037062 0.88 TBXAS1 (0.57) TBXAS1PTGIRESR1ESR2
SCHEMBL10451457 0.87 TBXAS1 (0.76) TBXAS1PTGIRESR1ESR2
Hydrochloric Acid SCHEMBL11004741 0.86 TBXAS1 (0.75) TBXAS1PTGIRESR1ESR2
SCHEMBL11009473 0.86 TBXAS1 (1.00) TBXAS1PTGIR
SCHEMBL3513494 0.86 TBXAS1 (1.00) TBXAS1PTGIR
SCHEMBL11006075 0.86 TBXAS1 (1.00) TBXAS1PTGIR
SCHEMBL11013586 0.86 TBXAS1 (0.74) TBXAS1
SCHEMBL7811725 0.86 TBXAS1 (0.69) TBXAS1PTGIRESR1ESR2
Hydrochloric Acid SCHEMBL11008442 0.85 TBXAS1 (0.72) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US claimed
EP-0080154-B1 N-SUBSTITUTED 2-PYRIDYL INDOLES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1985-08-28 EP disclosed
US-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US disclosed
US-4460777-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
EP-0080154-A2 N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-01 EP disclosed