SCHEMBL22985141

SCHEMBL22985141

CC(=O)OCC(O)COC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 4/20 0.41
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
CHRNB2 P17787 2/20 0.35

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
SCHEMBL29849998 0.88 CYP1A2 (0.55) LMNASMN1; SMN2CYP1A2KDM4ETDP1
SCHEMBL304203 0.88 TDP1 (0.54) LMNASMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL28412364 0.82 CYP1A2 (0.54) LMNASMN1; SMN2CYP1A2KDM4EALOX15
SCHEMBL6131221 0.81 TDP1 (0.48) LMNASMN1; SMN2CYP1A2KDM4ETDP1
Acetamide SCHEMBL28550426 0.80 LMNA (0.46) LMNASMN1; SMN2CYP1A2KDM4ETDP1
SCHEMBL3078233 0.79 TSHR (0.57) LMNASMN1; SMN2CYP1A2KDM4ETDP1
SCHEMBL13176451 0.79 TDP1 (0.47) LMNASMN1; SMN2CYP1A2KDM4ETDP1
SCHEMBL10020242 0.79 TDP1 (0.47) LMNASMN1; SMN2CYP1A2KDM4ETDP1
SCHEMBL22721493 0.79
SCHEMBL23818606 0.79 TDP1 (0.47) LMNASMN1; SMN2CYP1A2KDM4ETDP1

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-10920061-B2 Self-healing acrylic copolymer, crosslinked copolymer prepared from the acrylic copolymer and method for low-temperature self-healing of the crosslinked copolymer KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-02-16 US disclosed