SCHEMBL6240959

SCHEMBL6240959

Cc1ccc(CS(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.44
CA2 P00918 10/20 0.44
CA9 Q16790 10/20 0.44
CA5A P35218 4/20 0.44
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LPL P06858 6/20 0.36
LIPG Q9Y5X9 6/20 0.36
F11 P03951 1/20 0.35
UCHL1 P09936 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL21190846 0.87 LPL (0.36) CA1CA2CA9CA5ACA12
SCHEMBL24456291 0.78 KMT2A (0.39) CA1CA2CA9CA5ACA12
SCHEMBL30774095 0.78 CA1 (0.46) CA1CA2CA9CA5ACA12
SCHEMBL2950528 0.78 CA1 (0.46) CA1CA2CA9CA5ACA12
SCHEMBL790052 0.77 CA1 (0.58) CA1CA2CA9CA5ACA12
SCHEMBL15000455 0.77 LIPG (0.40) CA1CA2CA9LPLLIPG
SCHEMBL20157282 0.77 LIPG (0.37) CA1CA2CA9CA5ACA12
SCHEMBL1118853 0.75 LIPG (0.56) CA1CA2CA9CA5ACA12
SCHEMBL15181139 0.75 UCHL1 (0.37) CA1CA2CA9LPLLIPG
SCHEMBL27875445 0.75 SLC22A12 (0.44) CA2LPLLIPGUCHL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed