SCHEMBL8980593

SCHEMBL8980593

CCC(=O)c1cccc(C(=O)O)c1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
PLA2G4B P0C869 1/20 0.46
RAB9A P51151 3/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8980608 0.87 L3MBTL1 (0.55) MAOBMAOAL3MBTL1RAB9AMAPT
SCHEMBL8980558 0.84 PTGER1 (0.50) MAOBRAB9ACTSVCTSLMAPT
SCHEMBL8980703 0.80 ALDH1A1 (0.62) L3MBTL1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL7761823 0.78 MEN1 (0.49) MAOBMAOAPLA2G4BRAB9ACTSV
SCHEMBL8759753 0.74 MAOB (0.56) MAOBMAOAL3MBTL1RAB9AMAPT
SCHEMBL3093865 0.74 CTSV (0.58) L3MBTL1RAB9ACTSVCTSLMEN1
SCHEMBL15716510 0.73 ALDH1A1 (0.58) CTSVCTSLMEN1KMT2ALMNA
SCHEMBL6564473 0.73 CYP19A1 (0.56) RAB9ACTSVCTSLMAPTMEN1
SCHEMBL8980579 0.72 TSHR (0.53) MAOBL3MBTL1NPSR1MEN1KMT2A
SCHEMBL6568015 0.72 MAPT (0.48) MAOBMAOARAB9AMAPTNPSR1

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
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN disclosed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed