SCHEMBL8313802

SCHEMBL8313802

COCOc1ccc(C(CC(=O)O)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.53
PDE4D Q08499 1/20 0.50
TBXAS1 P24557 1/20 0.45
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGB1 P05556 1/20 0.43
ITGB6 P18564 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
CTSA P10619 3/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KCNA5 P22460 2/20 0.40

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
SCHEMBL8319920 0.90 PDE4D (0.48) FFAR1PDE4DTBXAS1SMN1; SMN2LMNA
SCHEMBL8317319 0.83 KCNA5 (0.40) FFAR1PDE4DTBXAS1KCNA5
SCHEMBL9312935 0.82 PDE4D (0.40) FFAR1PDE4DTBXAS1KCNA5
SCHEMBL9311940 0.81 HRH1 (0.42) FFAR1PDE4DTBXAS1KCNA5
SCHEMBL8553222 0.81 PDE4D (0.49) FFAR1PDE4D
SCHEMBL11990053 0.81 TBXAS1 (0.63) FFAR1PDE4DTBXAS1ITGB3ITGAV
SCHEMBL8318114 0.80 SMN1; SMN2 (0.57) SMN1; SMN2LMNA
SCHEMBL8317214 0.80 PBRM1 (0.42) FFAR1PDE4DKCNA5
Hydrochloric Acid SCHEMBL127499 0.79 TBXAS1 (0.61) FFAR1PDE4DTBXAS1ITGB3ITGAV
Ammonia Solution, Strong SCHEMBL8317322 0.78 TBXAS1 (0.44) TBXAS1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed