SCHEMBL29953077

SCHEMBL29953077

Cc1ccc(C(C)C)c(OCc2ccc(B(O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 1/20 0.55
NOD2 Q9HC29 1/20 0.55
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
PTBP1 P26599 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL2558651 0.85 MAPT (0.46) LMNAMAPTHPGDMAPK1HSD17B10
SCHEMBL2558238 0.82 ALDH1A1 (0.48) LMNAMAPTHPGDSMN1; SMN2POLB
SCHEMBL17236440 0.81 LIPE (0.51) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL10028470 0.81 MAPT (0.58) LMNAMAPTHPGDMAPK1HSD17B10
SCHEMBL2554884 0.80 ENPP2 (0.59) LMNAMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL2560524 0.80 ENPP2 (0.52) MAPTHPGDMAPK1KDM4ESMN1; SMN2
SCHEMBL2561404 0.80 MRGPRX4 (0.51) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16210297 0.77 MRGPRX4 (0.53) LMNAMAPTGAAHTTALDH1A1
SCHEMBL2558164 0.77 KMT2A (0.47) MAPTMAPK1HSD17B10KDM4ESMN1; SMN2
SCHEMBL2553915 0.74 GLRA1 (0.46) LMNAHPGDTSHR

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