SCHEMBL29009869

SCHEMBL29009869

O=C(O)CCc1ccnc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.64
LOXL2 Q9Y4K0 1/20 0.52
KEAP1 Q14145 1/20 0.47
P4HTM Q9NXG6 1/20 0.45
FFAR4 Q5NUL3 2/20 0.43
PTPRB P23467 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
PTEN P60484 1/20 0.42
PTPMT1 Q8WUK0 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL13089763 0.81 GABRP (0.62) FFAR1LOXL2P4HTMGABRPGABRD
SCHEMBL7962910 0.81 FFAR1 (0.51) FFAR1LOXL2KEAP1P4HTMPTPRB
SCHEMBL17054118 0.80 LOXL2 (0.46) FFAR1LOXL2
SCHEMBL17097356 0.79 KEAP1 (0.47) FFAR1KEAP1P4HTMFFAR4PTPRB
SCHEMBL17054221 0.79 FFAR1 (0.64) FFAR1LOXL2KEAP1P4HTM
SCHEMBL2961287 0.79 FFAR1 (0.64) FFAR1KEAP1P4HTMFFAR4
SCHEMBL7388387 0.79 GABRP (0.69) FFAR1KEAP1P4HTMPTPRBCDC25A
SCHEMBL30428004 0.78 FFAR1 (0.46) FFAR1KEAP1P4HTMPTPRBCDC25A
SCHEMBL20103289 0.78 CYP4F2 (0.53) FFAR1LOXL2
Hydrochloric Acid SCHEMBL6945542 0.77 GABRP (0.67) FFAR1KEAP1P4HTMPTPRBCDC25A

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 3 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-119528923-A Tri-fused ring compound and preparation method and application thereof 韦恩生物科技有限公司 2025-02-28 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed