SCHEMBL8773088

SCHEMBL8773088

O=C1C=CC2=Cc3cc4ccccc4cc3C(=O)C2=C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GAPDH P04406 1/20 0.34
HSD17B3 P37058 1/20 0.33
BACE1 P56817 1/20 0.32
GSTP1 P09211 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2591450 0.80 NPC1 (0.31) NPC1RAB9A
SCHEMBL9329488 0.79 PTPRC (0.44) MAOAMAOBHSD17B3BACE1NPC1
SCHEMBL26205055 0.74 CDC25B (0.44) MAOAGAPDHBACE1GSTP1NPC1
SCHEMBL29624480 0.71 MAOA (0.41) MAOAMAOBHSD17B3BACE1NPC1
SCHEMBL1895970 0.71 MAOA (0.41) MAOAMAOBHSD17B3BACE1NPC1
SCHEMBL16431948 0.69 APAF1 (0.34) GAPDHBACE1GSTP1
SCHEMBL2059539 0.68 ALDH1A1 (0.38) MAOAGAPDHGSTP1NPC1RAB9A
SCHEMBL3132658 0.68 MEN1 (0.34) MAOAGAPDHGSTP1NPC1RAB9A
SCHEMBL9473429 0.68 CDC25A (0.42) MAOAMAOBGAPDHGSTP1NPC1
SCHEMBL227263 0.68 SLC2A1 (0.39) MAOAGAPDHGSTP1NPC1RAB9A

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-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed