SCHEMBL21947700

SCHEMBL21947700

CC(C)C1(C)CCN(C(=O)CCOCCC(N)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23484936 0.89 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL23484940 0.86 L3MBTL1 (0.35) ALDH1A1HPGDSMN1; SMN2
SCHEMBL23484926 0.84 L3MBTL1 (0.41) ALDH1A1
SCHEMBL23594150 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL24926159 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24891050 0.81 L3MBTL1 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL13403911 0.75 CPN1 (0.41) ALDH1A1
SCHEMBL24891020 0.72 NPC1 (0.57) ALDH1A1HPGDSMN1; SMN2
SCHEMBL24926161 0.72 L3MBTL1 (0.41)
SCHEMBL21946673 0.71 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed