SCHEMBL22909122

SCHEMBL22909122

CC(C)C(=O)N1CCC(OCCCS)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
LSS P48449 2/20 0.36
FAAH O00519 1/20 0.36
NAMPT P43490 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
EPHX2 P34913 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL22526538 0.88 HRH2 (0.42) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL23560455 0.86 CHRNB2 (0.37) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL24673636 0.86 HRH2 (0.41) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL23806843 0.84 MEN1 (0.39) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL25468751 0.84 ITGB3 (0.34) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL22793897 0.81 HRH2 (0.40) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL18711704 0.80 ITGB3 (0.41) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL21106934 0.80 CHRNB2 (0.34) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL23695839 0.79 MEN1 (0.40) MEN1ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL23133950 0.77 NPC1 (0.45) MEN1ALDH1A1KMT2AITGB3ITGA2B

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-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed