SCHEMBL21207933

SCHEMBL21207933

CC(C)C1CCN(C(=O)COCCCOC2CC(C(C)C)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ BDKRB1 P46663 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HCRTR2 O43614 7/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31

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
SCHEMBL29343516 0.87 ALDH1A1 (0.35) ALDH1A1BDKRB1L3MBTL1HCRTR2NPC1
SCHEMBL22297429 0.87 ALDH1A1 (0.38) ALDH1A1BDKRB1L3MBTL1HCRTR2NPC1
SCHEMBL25581265 0.82 ALDH1A1 (0.42) ALDH1A1BDKRB1L3MBTL1NPC1NAMPT
SCHEMBL22875066 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1TP53
SCHEMBL20233673 0.74 NPC1 (0.43) ALDH1A1BDKRB1L3MBTL1NPC1LMNA
SCHEMBL824150 0.74 ALDH1A1 (0.48) ALDH1A1HCRTR2NPC1
SCHEMBL14023006 0.74 NPC1 (0.42) ALDH1A1L3MBTL1NPC1NAMPTLMNA
SCHEMBL26381330 0.73 — —
SCHEMBL19704627 0.72 CPN1 (0.40) ALDH1A1L3MBTL1NPC1LMNATP53
SCHEMBL21477198 0.72 NPC1 (0.46) ALDH1A1L3MBTL1NPC1LMNATP53

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
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