SCHEMBL16300094

SCHEMBL16300094

CC(C)(C)OC(=O)N1CC=CC(I)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.43
NR1H2 P55055 1/20 0.42
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL1486976 0.82 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL22072991 0.82 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL30242473 0.82 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL30242510 0.82 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL23971377 0.81 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL18312409 0.81 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL29744876 0.81 PREP (0.43) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL17049887 0.79 PREP (0.42) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL8182192 0.79 PREP (0.42) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL18449799 0.77 PREP (0.40) PREPNR1H2USP2SMN1; SMN2HPGD

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
WO-2021150697-A1 N-SUBSTITUTED-3-TRICYCLYL PIPERIDINE DERIVATIVES AS ANTICANCER AND NEUROPROTECTIVE AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-29 WO disclosed
WO-2012054535-A2 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-04-26 WO disclosed