SCHEMBL9947183

SCHEMBL9947183

CCOCCOc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
RARB P10826 1/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
PARP10 Q53GL7 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLK1 P53350 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL12998153 0.89 THRA (0.47) THRARARBMAPTL3MBTL1GAA
SCHEMBL9808683 0.88 MAPT (0.47) THRARARBMAPTL3MBTL1PARP10
SCHEMBL19077766 0.86 APP (0.47) THRARARBMAPTL3MBTL1PARP10
SCHEMBL17921588 0.86 APP (0.47) THRARARBMAPTL3MBTL1PARP10
SCHEMBL316964 0.86 APP (0.47) THRARARBMAPTL3MBTL1PARP10
SCHEMBL17921585 0.86 MAPT (0.50) THRARARBMAPTL3MBTL1PARP10
SCHEMBL19077767 0.86 APP (0.47) THRARARBMAPTL3MBTL1PARP10
SCHEMBL16139896 0.86 APP (0.47) THRARARBMAPTL3MBTL1PARP10
SCHEMBL402554 0.85 L3MBTL1 (0.58) MAPTL3MBTL1GAALMNATP53
SCHEMBL10713224 0.85 TP53 (0.58) RARBL3MBTL1GAATP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451966-B2 2019-10-22 US disclosed
US-20120147323-A1 OPHTHALMIC LENSES MODIFIED WITH FUNCTIONAL GROUPS AND METHODS OF MAKING THEREOF ALCON INC. (CH) 2012-06-14 US disclosed