SCHEMBL11746830

SCHEMBL11746830

CC(C1CCCCC1)S(=O)(=O)NSNS(=O)(=O)C(C)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA12 O43570 4/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
EPHX2 P34913 2/20 0.35
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MMP2 P08253 2/20 0.33
EPHX1 P07099 2/20 0.33
SHBG P04278 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
TSHR P16473 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
SCHEMBL23064382 0.74 CA1 (0.34) CA1CA12CA7CA14EPHX2
SCHEMBL11707543 0.73 SMN1; SMN2 (0.37) CA1CA12CA7CA14MMP2
SCHEMBL20072332 0.72 EPHX1 (0.39) CA1CA12CA7CA14EPHX2
SCHEMBL6058667 0.70 EPHX1 (0.43) CA1CA12CA7CA14EPHX2
SCHEMBL15668553 0.70 CA1 (0.43) CA1CA12CA7CA14EPHX2
SCHEMBL2492271 0.70 EPHX1 (0.43) CA1CA12CA7CA14EPHX2
Fluoride SCHEMBL19584764 0.68 EPHX1 (0.41) CA1CA12CA7CA14EPHX2
SCHEMBL4072059 0.67 EPHX1 (0.39) CA1CA12CA7CA14EPHX2
SCHEMBL23841199 0.67 EPHX1 (0.35) CA1CA12CA7CA14EPHX2
SCHEMBL27560321 0.67 EPHX1 (0.35) CA1CA12CA7CA14EPHX2

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-4053458-A INHIBITORS UOP INC. (US) 1977-10-11 US disclosed