SCHEMBL8125203

SCHEMBL8125203

[NH]N(CC(=O)O)C(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.54
▸ MAPK14 Q16539 3/20 0.53
▸ FFAR1 O14842 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SRD5A2 P31213 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ LIPG Q9Y5X9 1/20 0.45

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
SCHEMBL8127806 0.88 GAA (0.49) HPGDSMN1; SMN2LMNAGAAMEN1
SCHEMBL8119099 0.82 MEN1 (0.54) HPGDSMN1; SMN2HTTLMNAGAA
SCHEMBL1728537 0.79 MAPK14 (0.68) HPGDMAPK14FFAR1SMN1; SMN2HTT
SCHEMBL8126971 0.79 RNF4 (0.56) HPGDSMN1; SMN2RECQLALDH1A1LTA4H
SCHEMBL27593863 0.76 HPGD (0.61) HPGDMAPK14FFAR1SMN1; SMN2HTT
SCHEMBL2851912 0.76 MAPK14 (0.64) HPGDMAPK14FFAR1SMN1; SMN2HTT
SCHEMBL1680843 0.75 NPC1 (0.71) HPGDMAPK14FFAR1SMN1; SMN2HTT
SCHEMBL5709300 0.75 HPGD (0.84) HPGDMAPK14SMN1; SMN2HTTLMNA
SCHEMBL13192876 0.74 HPGD (0.62) HPGDMAPK14FFAR1SMN1; SMN2HTT
SCHEMBL10133183 0.74 NPC1 (0.75) HPGDMAPK14LMNARECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 — — EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 — — WO disclosed
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