SCHEMBL25844842

SCHEMBL25844842

CC(I)C(=O)Oc1ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
PTPN1 P18031 1/20 0.30
ESR1 P03372 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
SCHEMBL25845154 0.83 ELANE (0.37) PRSS1TMPRSS15ALDH1A1GAA
SCHEMBL25140216 0.79 ALOX15 (0.33) PRSS1TMPRSS15
SCHEMBL18775836 0.79 NOTUM (0.37) NOTUMPTPN1ESR1
SCHEMBL25844837 0.78 GABRA1 (0.32)
SCHEMBL25844838 0.76 ESR1 (0.32) ESR1
SCHEMBL18775738 0.75 KDM4E (0.37) ALDH1A1PTPN1
SCHEMBL19755984 0.74 TSHR (0.35) ALDH1A1GAAPKM
SCHEMBL25845049 0.74 PTPN1 (0.34) PTPN1
SCHEMBL19755987 0.74 TSHR (0.35) NOTUMALDH1A1
SCHEMBL19755962 0.74 NPSR1 (0.34) NOTUM

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