SCHEMBL22954530

SCHEMBL22954530

COC(=O)C1CCC2(CCN(c3ccc(N)c(OC)c3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
FFAR4 Q5NUL3 6/20 0.41
LGMN Q99538 2/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDK2 Q15119 1/20 0.39
NEK2 P51955 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HSD17B10 Q99714 2/20 0.37
PDE5A O76074 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL22954651 0.87 FFAR4 (0.41) MAPTFFAR4PDE3BPDE3APDK2
SCHEMBL22955203 0.84 ALDH1A1 (0.58) MAPTFFAR4ALDH1A1LMNAMEN1
SCHEMBL3311124 0.84 MAPT (0.57) MAPTLGMNPDE3BPDE3APDK2
SCHEMBL18812811 0.78 CYP3A4 (0.61) MAPTHSD17B10CYP3A4USP2ALDH1A1
SCHEMBL20472809 0.77 CYP3A4 (0.49) FFAR4HSD17B10CYP3A4USP2ALDH1A1
SCHEMBL17411139 0.76 FFAR4 (0.40) MAPTFFAR4HSD17B10CYP3A4ALDH1A1
SCHEMBL7209201 0.75 LGMN (0.51) MAPTLGMNPDK2NEK2HSD17B10
SCHEMBL12856205 0.75 LGMN (0.51) MAPTLGMNNEK2HSD17B10CYP3A4
SCHEMBL12312271 0.75 GAK (0.53) MAPTLGMNPDK2NEK2HSD17B10
SCHEMBL27196623 0.75 LGMN (0.61) MAPTLGMNPDE3BPDE3APDK2

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-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed