SCHEMBL24967159

SCHEMBL24967159

C=C(C)C(=O)Oc1c(C=O)cccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.55
ERN1 O75460 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
SRC P12931 1/20 0.55
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NFE2L2 Q16236 3/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.42

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
SCHEMBL24804343 0.86 CA12 (0.46) TLR2ERN1TLR1TLR6CA1
SCHEMBL807200 0.84 TLR2 (0.62) TLR2ERN1TLR1TLR6SRC
SCHEMBL4645064 0.83 SRC (0.59) TLR2ERN1TLR1TLR6SRC
SCHEMBL16112334 0.83 SRC (0.62) TLR2ERN1TLR1TLR6SRC
SCHEMBL31223205 0.82 ALDH1A1 (0.50) TLR2ERN1TLR1TLR6SRC
SCHEMBL8413248 0.82 ALDH1A1 (0.50) TLR2ERN1TLR1TLR6SRC
SCHEMBL16048364 0.81 SRC (0.60) TLR2ERN1TLR1TLR6SRC
SCHEMBL24810562 0.81 SRC (0.56) TLR2ERN1TLR1TLR6SRC
SCHEMBL1665129 0.80 SRC (0.59) TLR2ERN1TLR1TLR6SRC
SCHEMBL15495905 0.80 MAPT (0.47) TLR2ERN1TLR1TLR6CA1

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
WO-2024092041-A1 CURABLE COMPOSITIONS COMPRISING A POLYMERIZABLE REACTIVE DILUENT FOR FABRICATION OF ORTHODONTIC APPLIANCES ALIGN TECHNOLOGY, INC. (US) 2024-05-02 WO disclosed
WO-2023130034-A1 DEVICES AND METHODS FOR CONTROLLING PARTICLE DISTRIBUTION IN POLYMERS ALIGN TECHNOLOGY, INC. (US) 2023-07-06 WO disclosed
US-20230021953-A1 MULTI-VALENT POLYMERIZABLE COMPOSITIONS AND METHODS OF PRODUCING AND USING THE SAME ALIGN TECHNOLOGY, INC. 2023-01-26 US disclosed