SCHEMBL21207960

SCHEMBL21207960

OCCOCCOCCNCCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 4/20 0.43
ADRA1D P25100 4/20 0.43
ADRA1A P35348 4/20 0.43
ADRA1B P35368 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL2592983 0.94 SMN1; SMN2 (0.49) ADRB2ADRB1ADRB3SMN1; SMN2HTT
SCHEMBL1343622 0.87 NPC1 (0.57) ADRB2ADRB1ADRB3SMN1; SMN2HTT
SCHEMBL12147816 0.87 NPC1 (0.50) ADRB2ADRB1ADRB3SMN1; SMN2HTT
SCHEMBL17162099 0.85 TSHR (0.52) ADRB2ADRB1ADRB3SMN1; SMN2LMNA
SCHEMBL21405274 0.85 TSHR (0.52) ADRB2ADRB1ADRB3HTTMEN1
SCHEMBL23720535 0.85 TSHR (0.52) ADRB2ADRB1ADRB3HTTMEN1
SCHEMBL16346320 0.85 TSHR (0.52) ADRB2ADRB1ADRB3SMN1; SMN2LMNA
SCHEMBL17162054 0.85 TSHR (0.52) ADRB2ADRB1ADRB3HTTMEN1
SCHEMBL30380314 0.85 TSHR (0.52) ADRB2ADRB1ADRB3SMN1; SMN2LMNA
SCHEMBL30380648 0.85 TSHR (0.52) ADRB2ADRB1ADRB3SMN1; SMN2LMNA

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-2019148055-A9 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-09-26 WO disclosed
WO-2019148055-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-08-01 WO disclosed