SCHEMBL9465830

SCHEMBL9465830

Cc1ccc(S(=O)(=O)OCCC2(OC3CCCCO3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.37
SLC12A5 Q9H2X9 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
ENPP3 O14638 2/20 0.33
ENPP1 P22413 2/20 0.33
ENPP2 Q13822 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
RCE1 Q9Y256 1/20 0.33
FKBP1A P62942 1/20 0.32
MEN1 O00255 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
SCHEMBL1934479 0.81 MEN1 (0.43) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL11016658 0.80 MEN1 (0.47) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL11014343 0.79 MEN1 (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL10972726 0.79 MEN1 (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL18640178 0.78 MEN1 (0.40) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL17324110 0.78 MEN1 (0.40) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL15437037 0.78 MEN1 (0.40) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL5849848 0.78 MEN1 (0.40) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL15436972 0.78 MEN1 (0.40) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL20120351 0.77 MEN1 (0.45) SLC12A2SLC12A5CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412110-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1993-07-07 EP disclosed
US-5206229-A Inhibit cell proliferation, antiinflammatory, treating imbalance of immune system LEO PHARMACEUTICAL PRODUCTS LTD (DK) 1993-04-27 US disclosed
EP-0412110-A1 NOVEL VITAMIN D ANALOGUES. LEO PHARM PROD LTD (DK) 1991-02-13 EP disclosed
WO-1989010351-A1 NOVEL VITAMIN D ANALOGUES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) 1989-11-02 WO disclosed