SCHEMBL8445937

SCHEMBL8445937

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.53
ITGB1 P05556 2/20 0.51
ITGA4 P13612 2/20 0.51
FFAR1 O14842 2/20 0.50
AKR1B1 P15121 1/20 0.50
PTPN1 P18031 1/20 0.49
GRIA2 P42262 1/20 0.48
GRIA4 P48058 1/20 0.48
ESR2 Q92731 1/20 0.47
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
PTPN5 P54829 1/20 0.41
PPARG P37231 4/20 0.41
BRS3 P32247 1/20 0.41
ITGB7 P26010 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PPARA Q07869 1/20 0.40
ADAM17 P78536 1/20 0.39
KMT2A Q03164 1/20 0.39
OXTR P30559 1/20 0.39

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
SCHEMBL8317308 0.90 MME (0.54) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL2846869 0.89 MME (0.59) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL2572010 0.88 MME (0.52) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL9253966 0.88 MME (0.47) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL9710320 0.87 MME (0.51) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL8316621 0.87 ITGB1 (0.55) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL8314395 0.86 MME (0.50) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL9710577 0.86 MME (0.50) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL9710219 0.86 MME (0.50) MMEITGB1ITGA4FFAR1AKR1B1
SCHEMBL8316083 0.85 MME (0.53) MMEITGB1ITGA4FFAR1AKR1B1

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 4 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-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