SCHEMBL28094913

SCHEMBL28094913

CCCOC(=O)/C=C/C=C/C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.77
ATM Q13315 1/20 0.52
APP P05067 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.37
PTPN1 P18031 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
SCHEMBL28094914 1.00 HCAR2 (0.77) HCAR2ATMAPPACHEBACE1
SCHEMBL28094911 1.00 HCAR2 (0.77) HCAR2ATMAPPACHEBACE1
SCHEMBL28094929 0.91 HCAR2 (0.68) HCAR2ATMAPPALOX5MAPT
SCHEMBL2946406 0.91 HCAR2 (0.68) HCAR2ATMAPPALOX5MAPT
SCHEMBL2946403 0.91 HCAR2 (0.68) HCAR2ATMAPPALOX5MAPT
SCHEMBL21247449 0.88 HCAR2 (0.79) HCAR2ATMAPPACHEBACE1
SCHEMBL21247451 0.88 HCAR2 (0.79) HCAR2ATMAPPACHEBACE1
SCHEMBL5049800 0.88 HCAR2 (0.79) HCAR2ATMAPPACHEBACE1
Propionic Acid SCHEMBL28833389 0.88 HCAR2 (0.64) HCAR2ATMAPPALOX5MAPT
Propyl Fumarate SCHEMBL529074 0.87 HCAR2 (1.00) HCAR2ATMAPPALOX5MAPT

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-105899484-A Chemical process for conversion of mucic acid to adipic acid 新加坡科技研究局 2016-08-24 CN disclosed