SCHEMBL31509482

SCHEMBL31509482

NCCC[C@H](C(=O)O)N1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 9/20 0.43
DNMT1 P26358 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSR P00390 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
CPB1 P15086 3/20 0.36

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
SCHEMBL1832989 0.95 GSR (0.44) CPB2DNMT1ALDH1A1KDM4ETP53
Trifluoroacetic Acid SCHEMBL31509512 0.91 HRH4 (0.37) CPB2DNMT1ALDH1A1KDM4ETP53
SCHEMBL43970 0.82 PTPN1 (0.42) DNMT1ALDH1A1KDM4ETP53GLA
SCHEMBL29505890 0.82 KDM4E (0.49) DNMT1ALDH1A1KDM4ETP53GLA
SCHEMBL15395873 0.81 DNMT1 (0.44) DNMT1ALDH1A1KDM4ETP53GLA
SCHEMBL22223720 0.81 DNMT1 (0.44) DNMT1ALDH1A1KDM4ETP53GLA
SCHEMBL17527851 0.81 DNMT1 (0.44) DNMT1ALDH1A1KDM4ETP53GLA
Hydrochloric Acid SCHEMBL4277446 0.81 PTPN1 (0.41) DNMT1ALDH1A1KDM4ETP53GLA
SCHEMBL6939609 0.81 GPR84 (0.43) DNMT1ALDH1A1KDM4ETP53GLA
SCHEMBL43883 0.79 GPR84 (0.46) DNMT1

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-2025085489-A1 GSPT1-DEGRADING COMPOUNDS, ANTI-CD33 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-24 WO disclosed