SCHEMBL28472602

SCHEMBL28472602

C=C(C)COC(=O)C(Sc1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
EPHX1 P07099 1/20 0.46
KLK7 P49862 1/20 0.45
ADAM17 P78536 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ACP3 P15309 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL6929216 0.84 KDM4E (0.53) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL28470897 0.83 MAPT (0.56) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL8132437 0.81 MAPT (0.54) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL6934273 0.80 MAPT (0.55) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL28470775 0.79 MAPT (0.50) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4534294 0.75 ADAM17 (0.66) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL28475863 0.74 HTT (0.48) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL11293629 0.74 MAPT (0.55) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL28475867 0.73 HTT (0.47) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL20540763 0.72 LMNA (0.65) MAPTLMNASMN1; SMN2NPSR1ALDH1A1

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
CN-111808003-A Preparation method of thioether 甘肃农业大学 2020-10-23 CN disclosed