SCHEMBL9710320

SCHEMBL9710320

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.51
FFAR1 O14842 2/20 0.48
AKR1B1 P15121 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
PTPN1 P18031 1/20 0.46
GRIA2 P42262 1/20 0.44
GRIA4 P48058 1/20 0.44
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
PPARA Q07869 1/20 0.42
ESR2 Q92731 1/20 0.42
ACE P12821 2/20 0.41
ACHE P22303 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
TSHR P16473 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PPARG P37231 2/20 0.40
SOAT1 P35610 2/20 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
SCHEMBL9710219 0.99 MME (0.50) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL9710577 0.99 MME (0.50) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL2572010 0.97 MME (0.52) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL8317308 0.92 MME (0.54) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL1371403 0.89 MME (0.48) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL8445937 0.87 MME (0.53) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL8316083 0.87 MME (0.53) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL1895025 0.86 MME (0.46) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL633444 0.86 MME (0.48) MMEFFAR1AKR1B1ITGB1ITGA4
SCHEMBL4448448 0.84 CYP19A1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed