SCHEMBL6297309

SCHEMBL6297309

CCCCCCCCOC(=O)CCc1cc(-n2nnc3cc(Cl)ccc32)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.39
▸ RXRA P19793 2/20 0.39
▸ KCNMA1 Q12791 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGS2 P35354 3/20 0.33

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
SCHEMBL8466675 0.85 ALOX5 (0.38) KCNMA1GAAKMT2AHPGD
SCHEMBL78014 0.84 EPHX2 (0.41) EPHX2GAAKMT2ACNR1L3MBTL1
SCHEMBL9229451 0.84 EPHX2 (0.41) EPHX2GAAKMT2ACNR1L3MBTL1
SCHEMBL13030430 0.84 EPHX2 (0.41) EPHX2GAAKMT2ACNR1L3MBTL1
SCHEMBL9002895 0.84 EPHX2 (0.42) EPHX2GAAKMT2AL3MBTL1PTGS2
SCHEMBL22915501 0.81 EPHX2 (0.38) EPHX2CNR1
SCHEMBL9870753 0.80 CNR1 (0.40) EPHX2GAAKMT2ACNR1L3MBTL1
SCHEMBL5207084 0.80 RXRA (0.44) EPHX2RXRAKCNMA1P2RX7CNR1
SCHEMBL12917880 0.78 EPHX2 (0.40) EPHX2GAAKMT2APTGS2
SCHEMBL2491248 0.77 CNR2 (0.41) EPHX2GAAKMT2ACNR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 — — US disclosed
US-6890881-B2 Thermal recording materials MITSUBISHI PAPER MILLS LTD. (JP) 2005-05-10 — — US disclosed
US-20040029056-A1 Thermal recording materials MITSUBISHI PAPER MILLS LTD. (JP) 2004-02-12 — — US disclosed
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