SCHEMBL29307068

SCHEMBL29307068

CC(C)N1CCN(C(=O)COCCOCC[SH](C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.37
▸ BDKRB1 P46663 2/20 0.36
▸ HRH3 Q9Y5N1 12/20 0.36
▸ KCNH2 Q12809 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL26445138 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4ENPC1BDKRB1
SCHEMBL26445170 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4ENPC1BDKRB1
SCHEMBL26700710 0.81 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4ENPC1BDKRB1
SCHEMBL26707719 0.79 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4ENPC1BDKRB1
SCHEMBL26700713 0.74 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4ENPC1BDKRB1
SCHEMBL22849630 0.73 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4ENPC1HRH3
SCHEMBL17212824 0.73 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4ENPC1HRH3
SCHEMBL23730021 0.73 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4ENPC1HRH3
SCHEMBL26376818 0.73 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4ENPC1BDKRB1
SCHEMBL20413347 0.72 KDM4E (0.51) L3MBTL1ALDH1A1KDM4ENPC1HRH3

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-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 — — WO disclosed
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