SCHEMBL3437740

SCHEMBL3437740

CCOCCS(=O)(=O)NS(=O)(=O)CCOCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.34
LOX P28300 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 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
SCHEMBL25834188 0.89 ALDH1A1 (0.32) ALDH1A1TSHRLOXGAA
SCHEMBL25834192 0.85 ALDH1A1 (0.33) ALDH1A1TSHRLOXGAA
SCHEMBL14459501 0.83 ALDH1A1 (0.35) ALDH1A1TSHRLOXGAA
SCHEMBL6506909 0.77
SCHEMBL15529598 0.76 ALDH1A1 (0.41) ALDH1A1TSHRLOXGAATHRB
SCHEMBL6288712 0.74 CA2 (0.38) ALDH1A1TSHRGAAKDM4E
SCHEMBL3437725 0.74
SCHEMBL1161080 0.74 ALDH1A1 (0.39) ALDH1A1TSHRLOXGAAKDM4E
SCHEMBL10414839 0.74
SCHEMBL15423744 0.73

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-8163461-B2 Photoacid generator compounds and compositions CORNELL RESEARCH FOUNDATION, INC. (US) 2012-04-24 US disclosed