SCHEMBL7477872

SCHEMBL7477872

O=C(O)c1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 8/20 0.74
▸ NR4A2 P43354 3/20 0.74
▸ NR4A1 P22736 1/20 0.67
▸ NR4A3 Q92570 1/20 0.67
▸ NR1H4 Q96RI1 3/20 0.66
▸ MCL1 Q07820 1/20 0.64
▸ TP53 P04637 2/20 0.63
▸ PKM P14618 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ NFKB2 Q00653 2/20 0.63
▸ RELA Q04206 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ SRD5A2 P31213 1/20 0.61
▸ PTGER1 P34995 1/20 0.61

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
SCHEMBL1756369 0.93 MRGPRX4 (0.81) MRGPRX4NR4A2NR1H4TP53PKM
SCHEMBL18625354 0.91 NR4A2 (0.77) MRGPRX4NR4A2NR4A1NR4A3NR1H4
SCHEMBL16320242 0.88 NR4A2 (0.71) MRGPRX4NR4A2NR4A1NR4A3MCL1
SCHEMBL17952637 0.88 NR4A2 (0.71) MRGPRX4NR4A2NR4A1NR4A3MCL1
SCHEMBL4442592 0.88 MRGPRX4 (0.70) MRGPRX4NR4A2NR1H4TP53PKM
SCHEMBL27754433 0.87 NR4A2 (0.69) MRGPRX4NR4A2NR4A1NR4A3NR1H4
SCHEMBL4442371 0.86 MRGPRX4 (0.71) MRGPRX4NR4A2NR1H4TP53PKM
SCHEMBL4949143 0.86 NR4A2 (0.90) NR4A2NR4A1NR4A3MCL1SMN1; SMN2
SCHEMBL10459767 0.85 MRGPRX4 (0.79) MRGPRX4NR4A2NR4A1NR4A3NR1H4
SCHEMBL3565625 0.85 MRGPRX4 (1.00) MRGPRX4NR4A2NR1H4TP53PKM

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-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 — — US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 — — EP disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 — — US disclosed
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