SCHEMBL29953871

SCHEMBL29953871

CCOc1ccc(C)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 9/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SRC P12931 1/20 0.45
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ERN1 O75460 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL15630177 1.00 LMNA (0.51) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL14607940 0.86 KDM4E (0.48) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL1748693 0.85 LMNA (0.51) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL11886577 0.82 SRC (0.38) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL17182533 0.82 USP2 (0.53) LMNAALDH1A1HPGDMAPTNPSR1
SCHEMBL14254172 0.82 SRC (0.46) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL2154291 0.82 ALDH1A1 (0.43) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL28309816 0.82 ALDH1A1 (0.43) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL25474072 0.81 MAPT (0.47) ALDH1A1HPGDMAPTL3MBTL1TDP1
SCHEMBL10616645 0.81 ALDH1A1 (0.62) LMNAALDH1A1HPGDMAPTL3MBTL1

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