SCHEMBL29952646

SCHEMBL29952646

CNc1c(C=O)cccc1OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
POLB P06746 1/20 0.38
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH1 P35367 4/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SRC P12931 2/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL21643943 0.78 ALDH1A1 (0.53) TLR2ERN1TLR1TLR6POLB
SCHEMBL29953356 0.78 KAT2B (0.50) TLR2ERN1TLR1TLR6POLB
SCHEMBL29956551 0.77 POLB (0.37) POLB
SCHEMBL29952700 0.76 MCHR1 (0.39) TLR2ERN1TLR1TLR6POLB
SCHEMBL16305430 0.76 HPGD (0.50) TLR2ERN1TLR1TLR6POLB
SCHEMBL29951973 0.75 CA12 (0.43) TLR2ERN1TLR1TLR6POLB
SCHEMBL29954655 0.75 CA1 (0.39) TLR2ERN1TLR1TLR6POLB
SCHEMBL29956373 0.75 KAT2B (0.38) POLBKAT2BBAZ2BALDH1A1HPGD
SCHEMBL20064340 0.74 PDE4A (0.46) KAT2BBAZ2BSMN1; SMN2HRH1MCHR1
SCHEMBL29951166 0.74 ERN1 (0.41) TLR2ERN1TLR1TLR6POLB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed