SCHEMBL24089255

SCHEMBL24089255

C=CC(=O)OCCCCOC(=O)c1ccc2nn(-c3ccc(OC)cc3O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
SLC2A1 P11166 1/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
NLRP3 Q96P20 1/20 0.37
ESR1 P03372 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL29880921 0.96 MAPT (0.40) HDAC6SLC2A1MAPTNPC1NLRP3
SCHEMBL21630084 0.96 MAPT (0.40) HDAC6SLC2A1MAPTNPC1NLRP3
SCHEMBL24089270 0.93 HDAC6 (0.44) HDAC6SLC2A1MAPTNPC1NLRP3
SCHEMBL24089271 0.89 POLB (0.38) HDAC6SLC2A1MAPTNPC1NLRP3
SCHEMBL28959412 0.87 STS (0.48) HDAC6SLC2A1MAPTNPC1ESR1
SCHEMBL24089254 0.87 POLB (0.43) HDAC6SLC2A1MAPTNPC1NLRP3
SCHEMBL24089437 0.85 HDAC6 (0.38) HDAC6ESR1TSHRKDM4EPOLB
SCHEMBL24089394 0.84 RAB9A (0.38) MAPTNPC1SMN1; SMN2LMNARAB9A
SCHEMBL28965153 0.84 NPC1 (0.50) MAPTNPC1NLRP3ESR1LMNA
SCHEMBL21630098 0.83 MAPT (0.40) HDAC6SLC2A1MAPTNPC1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139030-A1 RESIN COMPOSITION FOR MOLDING, AND MOLDED BODY TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-04 US disclosed
US-20230139030-A1 RESIN COMPOSITION FOR MOLDING, AND MOLDED BODY TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-04 US disclosed
US-20210380743-A1 ULTRAVIOLET-RAY ABSORBING POLYMER, FORMATION RESIN COMPOSITION, AND FORMED BODY TOYO INK SC HOLDINGS CO., LTD. (JP) 2021-12-09 US disclosed