SCHEMBL16096089

SCHEMBL16096089

CC(C)(C)OC(=O)N1C=C[CH]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.36
CTSK P43235 1/20 0.36
NR1H2 P55055 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL1601359 0.81 USP2 (0.42) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL20265001 0.79 USP2 (0.46) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL2600436 0.75 USP2 (0.40) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL31552232 0.74 HPGD (0.40) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL1838102 0.73 PREP (0.37) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL31551926 0.72 HPGD (0.42) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL28856336 0.71 CHRM2 (0.38) USP2SMN1; SMN2ESR2CTSKNR1H2
Hydrochloric Acid SCHEMBL28241841 0.71 PREP (0.36) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL795243 0.70 USP2 (0.42) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL3277549 0.70 USP2 (0.46) USP2SMN1; SMN2ESR2CTSKNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014151630-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 WO disclosed