SCHEMBL25937485

SCHEMBL25937485

CC(C)(C)OC(=O)NCC(=O)N1CCOCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
CTSL P07711 1/20 0.42
DRD2 P14416 6/20 0.42
NOTUM Q6P988 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GRM7 Q14831 1/20 0.39
NR1I3 Q14994 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL25937726 0.85 DPP8 (0.40) SIGMAR1DRD2NOTUMNAMPTLMNA
SCHEMBL30557602 0.85 NOTUM (0.56) SIGMAR1CTSLNOTUMLMNACYP3A4
SCHEMBL3103616 0.83 GRM7 (0.57) CTSLNOTUMALDH1A1GRM7TSHR
SCHEMBL30557529 0.83 GRM7 (0.57) CTSLNOTUMALDH1A1GRM7TSHR
SCHEMBL25428357 0.82 ALDH1A1 (0.47) NOTUMLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL25937424 0.82 NOTUM (0.53) SIGMAR1DRD2NOTUMLMNACYP3A4
SCHEMBL30557604 0.82 CTSL (0.53) CTSLNOTUMLMNAALDH1A1GRM7
SCHEMBL23834391 0.80 PPARA (0.42) CTSL
SCHEMBL23834389 0.80 PPARA (0.42) CTSL
SCHEMBL25508275 0.79 CTSL (0.42) CTSLNOTUMTSHR

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed