SCHEMBL25844837

SCHEMBL25844837

CC(I)C(=O)Oc1ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HPGDS O60760 1/20 0.32
PLK1 P53350 1/20 0.30
SLC2A1 P11166 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
SCHEMBL25844838 0.94 ESR1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25845035 0.90 HPGDS (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25845037 0.84 ESR1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20008839 0.81 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19756009 0.80
SCHEMBL25476135 0.79
SCHEMBL25844839 0.78 HPGDS (0.35) HPGDSPLK1
SCHEMBL25844842 0.78 NOTUM (0.34)
SCHEMBL20008868 0.76 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25845154 0.76 ELANE (0.37)

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
US-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed