SCHEMBL4196872

SCHEMBL4196872

CC(C)(C)OC(=O)[C@@H]1CCC[N]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
BTK Q06187 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 2/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL4200760 1.00 GAA (0.35) GAAHRH3MAPK1HPGDBTK
SCHEMBL1901073 1.00 GAA (0.35) GAAHRH3MAPK1HPGDBTK
SCHEMBL597198 0.94 GAA (0.37) GAAHRH3MAPK1HPGDBTK
SCHEMBL1903969 0.86 MAPK1 (0.36) GAAHRH3MAPK1HPGDBTK
SCHEMBL2786350 0.78
SCHEMBL2783866 0.78
SCHEMBL74711 0.78
SCHEMBL1049438 0.73 ALDH1A1 (0.39)
SCHEMBL7599702 0.73 TSHR (0.33)
SCHEMBL17675561 0.73 MAPK1 (0.34) HRH3MAPK1HPGDBTKCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO claimed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed