SCHEMBL31723985

SCHEMBL31723985

NC(=O)CCCC(C(N)=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
POLB P06746 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 2/20 0.49
TNF P01375 5/20 0.47
LMNA P02545 1/20 0.43
PDE4A P27815 1/20 0.41

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
SCHEMBL31723988 0.95 ALDH1A1 (0.60) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL30978209 0.92 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL845556 0.84 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL3499274 0.84 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL31723954 0.82 ALDH1A1 (0.67) ALDH1A1POLBL3MBTL1KDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL14855879 0.81 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL442029 0.81 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL410167 0.81 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL411177 0.81 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL410627 0.81 ALDH1A1 (0.77) ALDH1A1POLBL3MBTL1KDM4ETP53

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
US-20250345488-A1 CROSSLINKED HYDROGELS WITH ENHANCED RADIOPACITY FOR MEDICAL APPLICATIONS BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-11-13 US disclosed