SCHEMBL4649839

SCHEMBL4649839

CC(C)(C)OC(=O)C1CCCC2(CCCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
BTK Q06187 1/20 0.36
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
EPHX1 P07099 2/20 0.31
HSD11B1 P28845 1/20 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
SCHEMBL26132791 0.92 HRH3 (0.37) HRH3HPGDBTKMAPK1EPHX1
SCHEMBL25277997 0.88 HRH3 (0.37) HRH3HPGDBTKMAPK1EPHX1
SCHEMBL30525657 0.84 HRH3 (0.39) HRH3HPGDBTKMEN1KMT2A
SCHEMBL2223446 0.83 HRH3 (0.41) HRH3HPGDBTKGRM5MEN1
SCHEMBL17765394 0.82 MAPK1 (0.37) HRH3HPGDBTKMEN1KMT2A
SCHEMBL30718246 0.81 HRH3 (0.36) HRH3HPGDBTKMAPK1EPHX1
SCHEMBL3403265 0.81 SMN1; SMN2 (0.45) GRM5ALDH1A1MAPTHSD11B1
SCHEMBL2633813 0.81 HRH3 (0.42) HRH3HPGDBTKGRM5MEN1
SCHEMBL21669632 0.80 CYP2C19 (0.41) HRH3BTKGRM5KMT2AMAPK1
SCHEMBL9977777 0.79 SMN1; SMN2 (0.42) GRM5ALDH1A1MAPTGAA

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-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed