SCHEMBL9574659

SCHEMBL9574659

COC(=O)c1ccc2cc(OCc3cccc(COc4ccc5cc(C(=O)OC)ccc5c4)c3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.64
▸ PTPRC P08575 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ MAOB P27338 3/20 0.55
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYSLTR1 Q9Y271 1/20 0.52
▸ F2 P00734 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MEN1 O00255 1/20 0.51

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
SCHEMBL1779167 0.91 ALOX5 (0.59) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL1777985 0.89 ALOX5 (0.60) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL10411878 0.87 MRGPRX4 (0.77) MRGPRX4MAOBCYSLTR1F2MAOA
SCHEMBL31556116 0.84 MAOB (0.58) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28152490 0.84 ALOX5 (0.67) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL10615958 0.84 NPC1 (0.58) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15549770 0.83 NPC1 (0.54) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL15296747 0.83 MAOB (0.74) MRGPRX4PTPRCPTPN1MAOBNPC1
SCHEMBL9268448 0.83 NPC1 (0.71) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6960292 0.82 MRGPRX4 (0.72) MRGPRX4MAOBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251795-B1 NEW COMPOUNDS AND THEIR APPLICATION Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1993-01-20 — — EP disclosed
US-4894359-A BIS(PHENOXYMETHYL)BENZENE DERIVATIVES KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1990-01-16 — — US disclosed
US-4855482-A New compounds and their application KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1989-08-08 — — US disclosed
EP-0251795-A2 New compounds and their application Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-01-07 — — EP disclosed
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