SCHEMBL25318229

SCHEMBL25318229

O=C(O)N1[C@@H]2CC[C@H]1C[C@H](CN1CCOCC1)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ THRB P10828 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CHRM1 P11229 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25318233 1.00 GLA (0.42) GLAHSD17B10THRBKDM4EHRH3
SCHEMBL25892408 0.79 CHRM1 (0.55) THRBCHRM1GAASMN1; SMN2
SCHEMBL25890494 0.79 CHRM1 (0.55) THRBCHRM1GAASMN1; SMN2
SCHEMBL19971640 0.74 HSD17B10 (0.41) GLAHSD17B10THRBKDM4EHRH3
SCHEMBL18579016 0.73 HSD17B10 (0.46) GLAHSD17B10THRBKDM4EALOX15
SCHEMBL25890504 0.72 HRH3 (0.38) THRBKDM4EHRH3ALDH1A1GAA
SCHEMBL18497552 0.72 THRB (0.48) GLAHSD17B10THRBKDM4EALOX15
SCHEMBL18497550 0.72 THRB (0.48) GLAHSD17B10THRBKDM4EALOX15
SCHEMBL25318878 0.72 GLA (0.40) GLAHSD17B10KDM4EHRH3ALOX15
SCHEMBL25429489 0.72 GLA (0.40) GLAHSD17B10KDM4EHRH3ALOX15

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-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 — — WO disclosed
Send feedback