SCHEMBL26564402

SCHEMBL26564402

COC(=O)C1C=CC(F)=CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.31
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21501028 0.80 GABRR1 (0.30) GABRR1CYP1A2HIF1ASLC6A3
SCHEMBL26571158 0.80 DNTT (0.32) GABRR1CYP1A2HIF1A
SCHEMBL23190831 0.80 GABRR1 (0.33) GABRR1CYP1A2HIF1A
SCHEMBL19699431 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12491666 0.79 KCNH2 (0.33) CYP1A2ALDH1A1
SCHEMBL10266913 0.79
SCHEMBL13814712 0.78
SCHEMBL19519810 0.75
SCHEMBL21928892 0.74 CYP1A2 (0.34) CYP1A2
SCHEMBL13418277 0.74 HDAC1 (0.31)

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-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed