SCHEMBL27640967

SCHEMBL27640967

C=C(C(=O)OC(C)(C)C)c1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.50
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
PTGER1 P34995 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
PARP1 P09874 1/20 0.45
BRD4 O60885 1/20 0.45
LIPE Q05469 1/20 0.43

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
SCHEMBL9805921 0.85 SGMS2 (0.57) SGMS2NPC1HTTGAAPTGER1
SCHEMBL27723974 0.81 SGMS2 (0.59) SGMS2NPC1HTTGAAPTGER1
SCHEMBL4230070 0.80 MAPT (0.49) NPC1HTTKMT2AMAPT
SCHEMBL27996704 0.79 MRGPRX4 (0.50) SGMS2MAPTL3MBTL1RXRARXRB
SCHEMBL19511860 0.76 PTGER1 (0.49) SGMS2NPC1HTTGAAPTGER1
SCHEMBL11583825 0.76 SGMS2 (0.56) SGMS2NPC1HTTGAAPTGER1
SCHEMBL12322221 0.75 SGMS2 (0.53) SGMS2NPC1HTTGAAMEN1
SCHEMBL30468871 0.75 SGMS2 (0.67) SGMS2NPC1HTTGAAPTGER1
SCHEMBL71081 0.75 SGMS2 (0.67) SGMS2NPC1HTTGAAPTGER1
SCHEMBL112903 0.74 SGMS2 (0.66) SGMS2NPC1HTTGAAPTGER1

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-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed