SCHEMBL6399068

SCHEMBL6399068

CCC(OCC(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL11127043 0.80 SMN1; SMN2 (0.37) TSHRSMN1; SMN2ALDH1A1
SCHEMBL27625813 0.80 SMN1; SMN2 (0.38) TSHRSMN1; SMN2ALDH1A1
SCHEMBL6395180 0.79
SCHEMBL25045811 0.76 CA1 (0.39) CA1CA2ALOX15
SCHEMBL1259256 0.76 CA1 (0.34) CA1CA2ALOX15
SCHEMBL4598217 0.74 CA1 (0.33) CA1CA2ALOX15ALDH1A1
SCHEMBL23230292 0.74 CA1 (0.33) CA1CA2ALOX15ALDH1A1
SCHEMBL28758522 0.74 TSHR (0.34) TSHRSMN1; SMN2ALDH1A1
SCHEMBL4394723 0.73 TSHR (0.35) TSHRALDH1A1
SCHEMBL11138013 0.72 CA1 (0.45) TSHRCA1CA2SMN1; SMN2ALDH1A1

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-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed