SCHEMBL29010055

SCHEMBL29010055

O=C(O)CCc1c(F)c(F)nc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR17 Q13304 9/20 0.36
KEAP1 Q14145 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2345633 0.81 FFAR1 (0.43) FFAR1FFAR4NPSR1GPR17KEAP1
SCHEMBL12445751 0.77 CYP1A2 (0.37) HSD17B10KDM4E
SCHEMBL29010080 0.75 FFAR1 (0.41) FFAR1FFAR4HSD17B10KDM4EGPR17
SCHEMBL5176622 0.74 CNR1 (0.37)
SCHEMBL6161347 0.69 CA12 (0.56) HSD17B10NPSR1
SCHEMBL22129230 0.69 POLB (0.40) FFAR1FFAR4HSD17B10KDM4ENPSR1
SCHEMBL2922043 0.68 LMNA (0.46) FFAR1FFAR4HSD17B10NPSR1HDAC6
SCHEMBL4717038 0.68 FFAR1 (0.49) FFAR1FFAR4GPR17KEAP1
SCHEMBL29009974 0.68 FFAR1 (0.49) FFAR1FFAR4NPSR1GPR17KEAP1
SCHEMBL6161591 0.67 CA12 (0.45) FFAR4HSD17B10NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed