SCHEMBL20819228

SCHEMBL20819228

CCC(=O)c1ccc(OCCO)cc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ NR1I2 O75469 1/20 0.50
▸ HTT P42858 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ PTPN11 Q06124 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14605715 0.85 KDM4E (0.53) THRATHRBHTTHSP90AB1L3MBTL1
SCHEMBL5453466 0.83 GAA (0.45) THRATHRBNR1I2HTTGAA
SCHEMBL9357458 0.82 MAOB (0.61) THRATHRBHTTMAOB
SCHEMBL6001702 0.81 MAPT (0.51) THRATHRBNR1I2HTTGAA
SCHEMBL2089774 0.80 HTT (0.69) THRATHRBHTTL3MBTL1
SCHEMBL28334733 0.79 THRA (0.42) THRATHRBNR1I2HTTGAA
SCHEMBL13603830 0.79 THRA (0.45) THRATHRBHTTGAAPPARD
SCHEMBL14574019 0.78 NR1I2 (0.68) NR1I2HTTGAAL3MBTL1
SCHEMBL27859781 0.78 GAA (0.68) HTTGAAPPARGPPARDPPARA
SCHEMBL27979074 0.77 HSP90AB1 (0.58) HSP90AB1PPARDMAOB

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
WO-2019055558-A1 HYDROGEL ENCAPSULATION OF LIVING ORGANISMS FOR LONG-TERM MICROSCOPY WORCESTER POLYTECHNIC INSTITUTE (US) 2019-03-21 — — WO disclosed
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