SCHEMBL29952329

SCHEMBL29952329

C#CCOc1ccc(C)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.44
SRC P12931 1/20 0.41
PDE4B Q07343 2/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL29955556 0.87 MAOB (0.39) HPGDTSHRKMT2ASRCPDE4B
SCHEMBL28342817 0.84 ALDH1A1 (0.44) HPGDTSHRKMT2ASRCALDH1A1
SCHEMBL29470912 0.81 TSHR (0.42) HPGDTSHRKMT2APDE4BALDH1A1
SCHEMBL4936956 0.81 HPGD (0.67) HPGDTSHRKMT2AALDH1A1LMNA
SCHEMBL28420547 0.81 ALDH1A1 (0.47) HPGDTSHRALDH1A1PTGDR2HTT
SCHEMBL29953871 0.80 LMNA (0.51) HPGDTSHRKMT2ASRCALDH1A1
SCHEMBL15630177 0.80 LMNA (0.51) HPGDTSHRKMT2ASRCALDH1A1
SCHEMBL25528508 0.78 SMN1; SMN2 (0.45) HPGDTSHRKMT2AALDH1A1LMNA
SCHEMBL30852959 0.77 CA12 (0.41) HPGDKMT2ASRCALDH1A1MEN1
SCHEMBL14607940 0.77 KDM4E (0.48) HPGDTSHRKMT2ASRCALDH1A1

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