SCHEMBL30428110

SCHEMBL30428110

O=C(O)CCc1cccc(C(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
KEAP1 Q14145 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 4/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 2/20 0.37
CTSK P43235 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
CHRM1 P11229 2/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
SLC15A1 P46059 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC4 O15439 1/20 0.35
C5 P01031 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL27947650 0.83 ADORA2A (0.42) ADORA2ANPSR1LMNAPGK1PGK2
SCHEMBL6783633 0.82 KEAP1 (0.52) KEAP1NPSR1FFAR1LMNACHRM1
SCHEMBL23343845 0.79 ADORA2A (0.39) ADORA2ANPSR1PGK1PGK2KCNH2
SCHEMBL29009939 0.77 KEAP1 (0.44) KEAP1NPSR1FFAR1FFAR4LMNA
SCHEMBL17743752 0.77 FFAR1 (0.52) KEAP1NPSR1FFAR1HDAC6RXRA
SCHEMBL27778293 0.75 ADORA2A (0.36) ADORA2ANPSR1PGK1PGK2KCNH2
SCHEMBL29530354 0.74 ADORA2A (0.40) ADORA2ANPSR1PGK1PGK2RXRA
SCHEMBL24915535 0.74 ADORA2A (0.40) ADORA2ANPSR1PGK1PGK2RXRA
SCHEMBL19720083 0.74 KEAP1 (0.44) KEAP1NPSR1FFAR1FFAR4LMNA
SCHEMBL7435568 0.74 KEAP1 (0.44) KEAP1FFAR1PLA2G10PLA2G2APLA2G5

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