SCHEMBL21076163

SCHEMBL21076163

COc1ccc(COC(=O)Cc2ccc(OC)c(-c3cc(CC(O)OCc4ccc(OC)cc4)ccc3OC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
KLK7 P49862 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 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
SCHEMBL14768422 0.88 HTT (0.52) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL18250215 0.81 ALDH1A1 (0.46) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL17124776 0.79 ALDH1A1 (0.44) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL14768424 0.78 ALDH1A1 (0.61) ALDH1A1L3MBTL1PTGDR2
SCHEMBL21076157 0.73 ALDH1A1 (0.54) ALDH1A1L3MBTL1PTGDR2
SCHEMBL17124779 0.71 ALDH1A1 (0.51) ALDH1A1L3MBTL1PTGDR2
SCHEMBL11000898 0.71 GAA (0.57) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL3732393 0.71 ALDH1A1 (0.57) HTTNPC1ALDH1A1MAPTGAA
SCHEMBL17124777 0.70 JAK2 (0.55) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL17130188 0.70 L3MBTL1 (0.47) LMNAALDH1A1L3MBTL1HSD17B10PTGDR2

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
EP-2753599-B1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2019-06-05 EP disclosed