SCHEMBL24847753

SCHEMBL24847753

CC(C)CCCOCCOCCN1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PAOX Q6QHF9 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
RAB9A P51151 2/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GBA1 P04062 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25730066 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2HPGDTDP1
SCHEMBL21015382 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL25111304 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL24060966 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2HPGDTDP1
SCHEMBL21455987 0.86 KDM4E (0.34) ALDH1A1KDM4ETDP1HRH3NPC1
SCHEMBL26445210 0.86 MAOB (0.39) ALDH1A1KDM4EHRH3HTT
SCHEMBL24673304 0.86 HRH3 (0.35) USP2HRH3GBA1HTT
SCHEMBL21106253 0.86 HRH2 (0.39) ALDH1A1KDM4ERAB9ANPC1GBA1
SCHEMBL21016113 0.86 HSD11B1 (0.35) ALDH1A1KDM4EHRH3NPC1GBA1
SCHEMBL22848922 0.86 MAPK1 (0.39) ALDH1A1KDM4ETDP1RAB9AMEN1

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-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed