SCHEMBL30267640

SCHEMBL30267640

OCc1cc(F)c(F)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DPP4 P27487 3/20 0.34
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
SHBG P04278 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 1/20 0.31
GAPDH P04406 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL650981 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4PDE4A
SCHEMBL29598381 0.88 DPP4 (0.41) GRIA1GRIA2GRIA3GRIA4PDE4A
SCHEMBL1167126 0.88 DPP4 (0.41) GRIA1GRIA2GRIA3GRIA4PDE4A
SCHEMBL523311 0.87 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4PDE4A
SCHEMBL31152 0.87 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4PDE4A
SCHEMBL31487599 0.87 LOXL2 (0.35) GRIA1GRIA2GRIA3GRIA4PDE4A
SCHEMBL25354840 0.81 TP53 (0.32) GPR84
SCHEMBL3824032 0.81 POLB (0.33) GPR84APEX1
SCHEMBL2209800 0.81 DPP4 (0.33) DPP4MEN1GAPDHTHRBAPEX1
SCHEMBL3872724 0.81 TP53 (0.40) GRIA1GRIA2GRIA3GRIA4PDE4A

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-113166085-B Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2024-04-09 CN disclosed
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN disclosed
EP-4125883-A1 COMBINATION THERAPY Antabio SAS (FR) 2023-02-08 EP disclosed