SCHEMBL9668952

SCHEMBL9668952

CC(C)(C)OC(=O)N1CCCC(CON2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.49
KDM1A O60341 1/20 0.47
FEN1 P39748 2/20 0.45
ALOX5AP P20292 1/20 0.45
SCN9A Q15858 1/20 0.45
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
BRD4 O60885 1/20 0.45
USP30 Q70CQ3 2/20 0.44
HTR6 P50406 4/20 0.44
BCHE P06276 2/20 0.43
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
CHEK2 O96017 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL31314168 0.93 KDM4E (0.49) ACKR3FEN1ALOX5APBRD4USP30
SCHEMBL31314345 0.93 KDM4E (0.49) ACKR3FEN1ALOX5APBRD4USP30
SCHEMBL31314279 0.89 NAMPT (0.50) FEN1ALOX5APSCN9ABRD4USP30
SCHEMBL24742264 0.89 NAMPT (0.50) FEN1ALOX5APSCN9ABRD4USP30
SCHEMBL6522277 0.86 KDM4E (0.54) KDM4EPKM
SCHEMBL29244762 0.84 ACKR3 (0.51) ACKR3KDM1AFEN1BACE1CTSD
SCHEMBL21605864 0.84 ACKR3 (0.51) ACKR3KDM1AFEN1BACE1CTSD
SCHEMBL23871348 0.84 ACKR3 (0.51) ACKR3KDM1AFEN1BACE1CTSD
SCHEMBL31055033 0.81 MEN1 (0.50) ACKR3KDM1ABACE1CTSDBRD4
SCHEMBL2069052 0.81 FEN1 (0.48) ACKR3KDM1AFEN1BACE1CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024263708-A2 ORNITHINE DECARBOXYLASE (ODC) INHIBITORS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2024-12-26 WO disclosed
EP-0495750-A2 Heterocyclic hydroxylamine CIBA-GEIGY AG (CH) 1992-07-22 EP disclosed