SCHEMBL29955834

SCHEMBL29955834

NC(=O)c1cc(O)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ERN1 O75460 4/20 0.42
CHRNA7 P36544 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LCK P06239 1/20 0.40
PARP1 P09874 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PELI1 Q96FA3 1/20 0.39
CES2 O00748 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL29954629 0.84 ERN1 (0.46) TYRTRIM24TRIM33ERN1CHRNA7
SCHEMBL15169263 0.82 CA12 (0.57) TYRTRIM24TRIM33ERN1CHRNA7
SCHEMBL10002426 0.79 ESR1 (0.40) TYRCHRNA7CA12CA1CA2
SCHEMBL8652359 0.79 LCK (0.41) TYRCHRNA7CA12CA1CA2
SCHEMBL27918002 0.78 KEAP1 (0.44) ERN1PARP1CES2KDM4EALDH1A1
SCHEMBL12396262 0.78 SRC (0.46) ERN1PARP1KDM4EALDH1A1HPGD
SCHEMBL1805264 0.76 CES2 (0.50) CA12CA1CA2ALOX5PTGS2
SCHEMBL29951029 0.76 TYR (0.43) TYRTRIM24TRIM33ERN1CHRNA7
SCHEMBL13365632 0.74 LRRK2 (0.47) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL28901717 0.74 TYR (0.42) TYRTRIM24TRIM33ERN1CHRNA7

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