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Sugi Predict / Compounds / SCHEMBL12917880

SCHEMBL12917880

SCHEMBL12917880

CCCCCCCCOC(=O)CCc1cc(C2n3c4ccc(Cl)cc4n32)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.40
▸ ALOX5 P09917 1/20 0.36
▸ GSK3B P49841 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PTGS2 P35354 3/20 0.35

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
SCHEMBL13978997 0.84 EPHX2 (0.44) EPHX2ALOX5GAAKMT2ATHRA
SCHEMBL9002895 0.83 EPHX2 (0.42) EPHX2ALOX5GSK3BGAAKMT2A
SCHEMBL17491243 0.80 GAA (0.53) GAAKMT2ATHRATHRB
SCHEMBL284382 0.80 GAA (0.53) GAAKMT2ATHRATHRB
SCHEMBL283853 0.80 GAA (0.53) GAAKMT2ATHRATHRB
SCHEMBL283875 0.80 GAA (0.53) GAAKMT2ATHRATHRB
SCHEMBL17491324 0.80 GAA (0.53) GAAKMT2ATHRATHRB
Octane SCHEMBL21828749 0.80 GAA (0.53) GAAKMT2ATHRATHRB
SCHEMBL4636248 0.80 GAA (0.53) GAAKMT2ATHRATHRB
SCHEMBL284123 0.80 GAA (0.53) GAAKMT2ATHRATHRB

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
US-20110020600-A1 Cellulose Acylate Film, Method for Producing Same, Optically Compensatory Film, Anti-Reflection Film, Polarizing Plate and Image Display Device FUJIFILM CORPORATION (JP) 2011-01-27 — — US disclosed
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