SCHEMBL28829617

SCHEMBL28829617

O=C1CC=CC2=C1c1ccccc1-c1ccccc1-c1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
CES1 P23141 3/20 0.36
BCHE P06276 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S100A4 P26447 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.36
APAF1 O14727 1/20 0.36
TERT O14746 1/20 0.36
NPC1 O15118 1/20 0.36
PLIN1 O60240 1/20 0.36
TDP2 O95551 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
PTPRC P08575 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL10900576 0.98 MAOA (0.36) MAOACES1BCHEMEN1KMT2A
SCHEMBL1501865 0.86 CDC25B (0.41) MAOACES1BCHEMEN1KMT2A
SCHEMBL3829679 0.79
SCHEMBL5494021 0.78 CDC25B (0.41) MAOACES1BCHEMEN1KMT2A
SCHEMBL3033666 0.77 HPGD (0.41) MAOAMEN1KMT2AKDM4ELMNA
SCHEMBL731491 0.76 MAPT (0.34) KMT2AKDM4EMAPT
SCHEMBL29196481 0.73
SCHEMBL6440967 0.72 KDM4E (0.37) MAOACES1BCHEMEN1KMT2A
SCHEMBL4593494 0.69
SCHEMBL5094569 0.68 MEN1 (0.34) MAOACES1BCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885078-B Multi-layer graphene using chemical vapor deposition and method for manufacturing the same 纳米基盘柔软电子素子研究团 2022-08-30 CN disclosed