SCHEMBL9420113

SCHEMBL9420113

CCOC(=O)[C@@H]1OC(c2cccc(OCC)c2O)O[C@H]1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
APAF1 O14727 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
GRK6 P43250 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL7939252 0.76 ALDH1A1 (0.47) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL7950800 0.76 ALDH1A1 (0.47) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL29199108 0.72 TSHR (0.61) TSHRGAATDP1CTDSP1ALDH1A1
SCHEMBL2749958 0.71 TSHR (0.73) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL6572035 0.71 TSHR (0.73) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL23207575 0.70 TSHR (0.58) TSHRTDP1MEN1KMT2AL3MBTL1
SCHEMBL7709533 0.70 TSHR (0.54) TSHRGAAALDH1A1KMT2ALMNA
SCHEMBL30862347 0.70 TSHR (0.67) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL873079 0.70 TSHR (0.67) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2051892 0.69 LMNA (0.45) GAAALDH1A1MEN1KMT2AGLA

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-0515622-B1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN ROURE INT (CH) 1994-07-20 EP claimed