SCHEMBL27478366

SCHEMBL27478366

C=C1CC1CN(CC)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA14 Q9ULX7 1/20 0.33
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ASGR1 P07306 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL24890720 0.78 CNR2 (0.36) NFKB1NFKB2RELACA14NAMPT
SCHEMBL1962792 0.76 MEN1 (0.45) NFKB1NFKB2RELACA14L3MBTL1
SCHEMBL22733859 0.75 CTSD (0.35) NFKB1NFKB2RELACA14NAMPT
SCHEMBL4780561 0.74 ALOX5 (0.39) NFKB1NFKB2RELACA14
SCHEMBL24608436 0.74 ALDH1A1 (0.38) NFKB1NFKB2RELACA14NAMPT
SCHEMBL22456984 0.74 CCR2 (0.41) NFKB1NFKB2RELAL3MBTL1
SCHEMBL17686995 0.73 CA14 (0.39) NFKB1NFKB2RELACA14NAMPT
SCHEMBL4669068 0.72 CTSD (0.35) NFKB1NFKB2RELACA14KMT2A
SCHEMBL7505005 0.72 CHRM1 (0.35) NFKB1NFKB2RELACA14L3MBTL1
SCHEMBL15725091 0.71 CA14 (0.40) NFKB1NFKB2RELACA14NAMPT

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-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed