SCHEMBL27828906

SCHEMBL27828906

COc1c(F)cc(CCC(=O)O)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
FFAR1 O14842 11/20 0.45
FFAR4 Q5NUL3 10/20 0.45
NPSR1 Q6W5P4 1/20 0.44
STING1 Q86WV6 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
SCHEMBL27828902 0.81 POLB (0.53) POLBFFAR1FFAR4NPSR1
SCHEMBL16293919 0.78 POLB (0.47) POLBFFAR1FFAR4NPSR1
SCHEMBL10480367 0.78 FFAR4 (0.51) POLBFFAR1FFAR4
SCHEMBL718130 0.78 CYP1A2 (0.47)
SCHEMBL25368352 0.75 MAPT (0.42)
SCHEMBL2315500 0.75 POLB (0.50) POLBFFAR1FFAR4NPSR1
SCHEMBL27828878 0.75 ALDH1A1 (0.34)
SCHEMBL17743633 0.74 POLB (0.49) POLBFFAR1FFAR4NPSR1
SCHEMBL14441618 0.73 POLB (0.51) POLBFFAR1FFAR4NPSR1
SCHEMBL20234381 0.73 MEP1B (0.50) POLBFFAR1FFAR4

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
CN-102076694-A 5, 6, 7, 8-tetrahydro-imidazo[1, 5-a]pyrazine compounds ACTELION PHARMACEUTICALS LTD 2011-05-25 CN disclosed