SCHEMBL8312930

SCHEMBL8312930

CC(=O)C(Cc1ccc(-c2ccccc2C#N)cc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.54
ITGB1 P05556 2/20 0.52
ITGA4 P13612 2/20 0.52
ESR2 Q92731 1/20 0.51
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.45
MYC P01106 1/20 0.44
WDR5 P61964 1/20 0.44
PPARG P37231 3/20 0.44
GRIA2 P42262 1/20 0.44
GRIA4 P48058 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
ACHE P22303 1/20 0.43
BRS3 P32247 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ITGB7 P26010 1/20 0.41
HSD17B3 P37058 1/20 0.41

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
SCHEMBL8316621 0.94 ITGB1 (0.55) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL9259252 0.89 MME (0.47) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL2846869 0.88 MME (0.59) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL1892549 0.84 MME (0.50) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL8316083 0.84 MME (0.53) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL8445937 0.84 MME (0.53) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL7610406 0.82 MME (0.47) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL8317308 0.82 MME (0.54) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL5164414 0.82 SLC7A5 (0.57) MMEITGB1ITGA4ESR2FFAR1
SCHEMBL5164419 0.82 SLC7A5 (0.57) MMEITGB1ITGA4ESR2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed
EP-0628045-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017023-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed