SCHEMBL29010080

SCHEMBL29010080

O=C(O)CCc1c(F)cnc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 1/20 0.41
P4HTM Q9NXG6 1/20 0.38
GPR17 Q13304 7/20 0.37
KEAP1 Q14145 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33

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
SCHEMBL12445753 0.81 AGBL2 (0.39) P4HTMHSD17B10KDM4EASPHKDM8
SCHEMBL29402494 0.80 FFAR4 (0.37) FFAR1FFAR4P4HTMGPR17
SCHEMBL29009974 0.77 FFAR1 (0.49) FFAR1FFAR4P4HTMGPR17KEAP1
SCHEMBL29010055 0.75 FFAR1 (0.39) FFAR1FFAR4GPR17KEAP1HSD17B10
SCHEMBL4717038 0.73 FFAR1 (0.49) FFAR1FFAR4GPR17KEAP1
SCHEMBL10753765 0.72 CBFB (0.32) HSD17B10KDM4E
SCHEMBL27037031 0.71 FFAR1 (0.50) FFAR1FFAR4GPR17KEAP1
SCHEMBL2345633 0.69 FFAR1 (0.43) FFAR1FFAR4GPR17KEAP1
SCHEMBL12445759 0.68 CSNK2A2 (0.38) P4HTMGPR17KDM4EASPHKDM8
SCHEMBL19522398 0.68 GPR17 (0.55) FFAR1FFAR4GPR17KEAP1KDM4E

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-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed