SCHEMBL29954655

SCHEMBL29954655

CNc1cccc(C=O)c1OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SRC P12931 1/20 0.34
POLB P06746 2/20 0.33
ERN1 O75460 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4443212 0.78 CA1 (0.58) CA1CA2SRCPOLBERN1
SCHEMBL29953161 0.78 KAT2B (0.50) CA1CA2SRCCXCR5
SCHEMBL29952522 0.77 POLB (0.32) POLB
SCHEMBL2818914 0.76 SRC (0.55) CA1CA2SRCERN1TLR2
SCHEMBL29953583 0.76 CA1 (0.39) CA1CA2SRCPOLBERN1
SCHEMBL29952646 0.75 TLR2 (0.39) CA1CA2SRCPOLBERN1
SCHEMBL29956893 0.75 CA1 (0.39) CA1CA2SRCPOLBERN1
SCHEMBL29954871 0.75 PTPN1 (0.38) POLBALDH1A1
SCHEMBL29956373 0.75 KAT2B (0.38) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3579232 0.74 POLB (0.49) CA1CA2SRCPOLBERN1

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