SCHEMBL8640532

SCHEMBL8640532

CCCC(CCS(N)(=O)=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
EPHX1 P07099 2/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MMP1 P03956 1/20 0.30
MMP7 P09237 1/20 0.30
MMP12 P39900 1/20 0.30
ECE1 P42892 1/20 0.30
MMP13 P45452 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
SCHEMBL23522672 0.81 SHBG (0.50) SHBGALDH1A1EPHX1SMN1; SMN2
SCHEMBL29016515 0.79 SHBG (0.46) SHBGALDH1A1CA1CA2EPHX1
SCHEMBL27857861 0.74 EPHX1 (0.38) CA1CA2EPHX1
SCHEMBL19175664 0.74 SHBG (0.43) SHBGALDH1A1EPHX1SMN1; SMN2MMP1
SCHEMBL7761672 0.73 SHBG (0.52) SHBGALDH1A1EPHX1SMN1; SMN2
SCHEMBL1094949 0.73 SHBG (0.52) SHBGALDH1A1EPHX1SMN1; SMN2
SCHEMBL14236531 0.73 EPHX1 (0.39) SHBGALDH1A1EPHX1SMN1; SMN2
SCHEMBL28112002 0.73 SHBG (0.39) SHBGCA1CA2EPHX1CA12
SCHEMBL13798128 0.72 SHBG (0.41) SHBGALDH1A1EPHX1SMN1; SMN2
SCHEMBL20600342 0.72 SHBG (0.41) SHBGALDH1A1EPHX1SMN1; SMN2

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-1999043285-A2 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1999-09-02 WO disclosed