SCHEMBL7917680

SCHEMBL7917680

CC=C(c1cccc(OC)c1)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PARP1 P09874 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7917677 1.00 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL25043086 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL7923057 0.84 MTNR1A (0.47) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL7923055 0.84 MTNR1A (0.47) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL14376098 0.83 CES2 (0.62) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL7923323 0.79 MTNR1A (0.43) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL7923326 0.79 MTNR1A (0.43) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL7925207 0.77 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL6548199 0.77 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL13442948 0.76 CES2 (0.50) CES2CES1NPC1RAB9APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
EP-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP disclosed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO disclosed
US-5198451-A Treatment of epilepsy, inhibitors of gamma-aminobutyric acid uptake from synaptic cleft NOVO NORDISK A/S (DK) 1993-03-30 US disclosed
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed