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Sugi Predict / Compounds / SCHEMBL17296563

SCHEMBL17296563

SCHEMBL17296563

CCCCCC(=O)OC1CC(C)(C)N(OCc2ccccc2)C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NAAA Q02083 2/20 0.42
▸ BCHE P06276 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CETP P11597 3/20 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
SCHEMBL698553 0.94 KMT2A (0.47) KMT2AMEN1GAAPTPN1TSHR
SCHEMBL27839267 0.91 KMT2A (0.44) KMT2AMEN1GAATSHREPHX2
SCHEMBL1639800 0.83 KMT2A (0.39) KMT2AMEN1GAAPTPN1TSHR
SCHEMBL5061937 0.83 KMT2A (0.39) KMT2AMEN1GAAPTPN1TSHR
SCHEMBL13474845 0.80 KMT2A (0.43) KMT2AMEN1GAATSHRNAAA
SCHEMBL7475800 0.80 TSHR (0.53) KMT2AMEN1GAATSHR
SCHEMBL7478103 0.80 TSHR (0.67) KMT2AMEN1GAATSHR
SCHEMBL9656558 0.80 KMT2A (0.44) KMT2AMEN1GAATSHRNAAA
SCHEMBL13435126 0.79 NAAA (0.52) KMT2AMEN1GAANAAAEPHX2
SCHEMBL14707369 0.79 NAAA (0.52) KMT2AMEN1GAANAAAEPHX2

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-9201173-B2 Polarizer protective film, polarizer, and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-12-01 — — US disclosed
US-9201173-B2 Polarizer protective film, polarizer, and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-12-01 — — US disclosed