SCHEMBL29958024

SCHEMBL29958024

CCOC(=O)c1cc(F)ccc1B(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
LMNA P02545 3/20 0.45
PRKCZ Q05513 1/20 0.45
MAPT P10636 2/20 0.43

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
SCHEMBL19893894 1.00 TSHR (0.54) TSHRPOLBSMN1; SMN2TDP1HPGD
SCHEMBL29951307 0.87 TSHR (0.54) TSHRPOLBSMN1; SMN2TDP1HPGD
SCHEMBL4628672 0.83 TSHR (0.60) TSHRPOLBSMN1; SMN2TDP1HPGD
SCHEMBL473980 0.82 MAPK1 (0.51) TSHRHPGDKDM4EHSD17B10MEN1
SCHEMBL29952924 0.82 MAPK1 (0.51) TSHRHPGDKDM4EHSD17B10MEN1
SCHEMBL458104 0.81 SLC6A4 (0.50) TSHRSMN1; SMN2HPGDKDM4EMEN1
SCHEMBL29920551 0.81 SLC6A4 (0.50) TSHRSMN1; SMN2HPGDKDM4EMEN1
SCHEMBL30755337 0.81 TSHR (0.57) TSHRPOLBSMN1; SMN2TDP1HPGD
SCHEMBL10562029 0.81 TSHR (0.57) TSHRPOLBSMN1; SMN2TDP1HPGD
SCHEMBL1997075 0.81 TSHR (0.60) TSHRPOLBSMN1; SMN2TDP1HPGD

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