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SCHEMBL7631343

SCHEMBL7631343

O=C(OCCC(COC(=O)OOC(=O)c1cccc(-c2ccccc2)c1)C(COC(=O)OOC(=O)c1cccc(-c2ccccc2)c1)C(CCOC(=O)OOC(=O)c1cccc(-c2ccccc2)c1)COC(=O)OOC(=O)c1cccc(-c2ccccc2)c1)OOC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7626295 0.98 KMO (0.38) KMONPC1RAB9AMAPTTDP1
SCHEMBL7630133 0.94 KMO (0.41) KMONPC1RAB9AMAPTTDP1
SCHEMBL7634296 0.89 SLC1A5 (0.45) RAB9AMAPTTDP1F2LMNA
SCHEMBL7628984 0.89 LMNA (0.47) TDP1F2LMNA
SCHEMBL7627372 0.87 KMO (0.41) KMONPC1RAB9AMAPTTDP1
SCHEMBL7632827 0.87 SLC1A5 (0.45) RAB9AMAPTTDP1F2LMNA
SCHEMBL7631796 0.86 LMNA (0.47) TDP1F2LMNA
SCHEMBL7632253 0.85 ADRB2 (0.43) NPC1RAB9AMAPT
SCHEMBL7629594 0.83 NPSR1 (0.45) NPC1TDP1GRIN2B
SCHEMBL7632648 0.83 SLC1A5 (0.48) NPC1RAB9AMAPTTDP1F2

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 — — EP disclosed