SCHEMBL26625541

SCHEMBL26625541

O=C(O)CCc1ccc2c(c1)C=CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.44
PTPRB P23467 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
PTEN P60484 1/20 0.43
PTPMT1 Q8WUK0 1/20 0.43
KEAP1 Q14145 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL586035 0.87 FFAR1 (0.44) FFAR1PTPRBCDC25ACDC25BPTEN
SCHEMBL1650312 0.83 KDM4E (0.46) RXRARXRBRXRGCA2
SCHEMBL7182926 0.82 CA1 (0.32) CA1CA2
SCHEMBL21858014 0.80 KDM4E (0.42) CA1CA2
SCHEMBL5324384 0.78 GRIK1 (0.49)
SCHEMBL21857988 0.77 CA2 (0.35) CA2
SCHEMBL6914459 0.76 CNR1 (0.40) CA2
SCHEMBL28106014 0.76
SCHEMBL18680263 0.75 POLB (0.37)
SCHEMBL15796692 0.75

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
WO-2023210741-A1 BENZOTRIAZOLE COMPOUND 第一三共株式会社 2023-11-02 WO disclosed