Sugi Predict

Sugi Predict / Compounds / SCHEMBL4435180

SCHEMBL4435180

SCHEMBL4435180

CC(C)(C)OC(=O)N(O)C1CCCCC1.CN[C@H]1CC[C@H](O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ EPHX1 P07099 3/20 0.35
▸ BTK Q06187 1/20 0.34
▸ EPHX2 P34913 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL1722706 0.85 GAA (0.38) GAAEPHX1BTKCHRM2CHRM1
SCHEMBL5429740 0.83 BTK (0.37) GAAEPHX1BTKCHRM2CHRM1
SCHEMBL24292449 0.76 HSD11B1 (0.37) GAAEPHX1BTKCHRM2CHRM1
SCHEMBL7464533 0.73 HSD11B1 (0.40) GAAEPHX1BTK
SCHEMBL26667530 0.73 HSD11B1 (0.40) GAAEPHX1BTK
Hydrochloric Acid SCHEMBL7419816 0.72 HSD11B1 (0.40) GAAEPHX1BTK
Hydrochloric Acid SCHEMBL8184993 0.72 HSD11B1 (0.40) GAAEPHX1BTK
SCHEMBL138266 0.70 GAA (0.39) GAAEPHX1BTK
SCHEMBL23763283 0.70 BTK (0.49) GAAEPHX1BTKEPHX2
SCHEMBL24292445 0.69 CHRM2 (0.40) CHRM2CHRM1CHRM3

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-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 — — EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 — — WO disclosed