SCHEMBL29307351

SCHEMBL29307351

CC(C)(C)OC(=O)CN1CCC[C@@H](N)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HTR4 Q13639 1/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL25355009 0.84 PLA2G10 (0.40) ALDH1A1MEN1KMT2AMAPTPLA2G10
SCHEMBL18173577 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTPLA2G10
SCHEMBL8634516 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTPLA2G10
SCHEMBL14306830 0.83 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL16900147 0.81 WNT1 (0.38) PLA2G10PLA2G5HTR4HPGD
SCHEMBL29042818 0.80 KDM4E (0.44) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2925781 0.80 KDM4E (0.44) ALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2925780 0.79 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4026767 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APLA2G10PLA2G5
SCHEMBL4180063 0.78 CTSK (0.43) ALDH1A1MEN1KMT2APLA2G10PLA2G5

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-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed