SCHEMBL29951693

SCHEMBL29951693

O=Cc1ccnc(C(=O)O)c1OC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.36
KDM4E B2RXH2 4/20 0.35
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.30
SCD O00767 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
SCHEMBL29953450 0.87 PARP10 (0.38) KMOCCR1CCR5CCR8POLB
SCHEMBL29954852 0.83 SCD (0.43) POLBSCD
SCHEMBL29955612 0.77 CCR1 (0.37) CCR1CCR5CCR8POLB
SCHEMBL29958426 0.77 KMO (0.41) KMOKDM4EASPHKDM8ALDH1A1
SCHEMBL29957690 0.73 LOX (0.38) CCR1CCR5CCR8POLB
SCHEMBL29951753 0.73 KMO (0.37) KMOKDM4EASPHKDM8POLB
SCHEMBL29951305 0.73 CCR1 (0.34) CCR1CCR5CCR8POLBSCD
SCHEMBL29956893 0.73 CA1 (0.39) KDM4EALDH1A1ALOX15L3MBTL1POLB
SCHEMBL9459401 0.71 KDM4E (0.47) KDM4EASPHKDM8CCR1CCR5
SCHEMBL548552 0.71 KDM4E (0.43) KDM4EASPHKDM8CCR1CCR5

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