SCHEMBL8317308

SCHEMBL8317308

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.54
FFAR1 O14842 2/20 0.51
AKR1B1 P15121 1/20 0.51
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
PTPN1 P18031 1/20 0.48
GRIA2 P42262 1/20 0.47
GRIA4 P48058 1/20 0.47
ESR2 Q92731 1/20 0.44
PPARG P37231 4/20 0.42
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
PTPN5 P54829 1/20 0.40
ITGB7 P26010 1/20 0.40
BRS3 P32247 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PPARA Q07869 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL8316083 0.95 MME (0.53) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL2572010 0.93 MME (0.52) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL9710320 0.92 MME (0.51) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL9710577 0.91 MME (0.50) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL9710219 0.91 MME (0.50) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL8445937 0.90 MME (0.53) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL1370358 0.89 MME (0.47) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL1891097 0.89 MME (0.50) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL27962068 0.89 MME (0.47) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL2846869 0.87 MME (0.59) MMEFFAR1AKR1B1ITGB1ITGA4

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
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
EP-0628045-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN 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