SCHEMBL23047646

SCHEMBL23047646

OC1O[C@H](COCc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.52
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 1/20 0.45
DRD1 P21728 1/20 0.42
HRH4 Q9H3N8 4/20 0.41
HRH3 Q9Y5N1 4/20 0.41
SLC6A2 P23975 1/20 0.40
GJB2 P29033 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39

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
SCHEMBL29711913 1.00 PDE4D (0.52) PDE4DBCHEACHELMNADRD1
SCHEMBL7564025 0.91 BCHE (0.50) PDE4DBCHEACHELMNADRD1
SCHEMBL7564019 0.91 BCHE (0.50) PDE4DBCHEACHELMNADRD1
SCHEMBL7570831 0.84 PDE4D (0.57) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL7570823 0.84 PDE4D (0.57) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL7570826 0.84 PDE4D (0.57) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL459736 0.84 LMNA (0.48) PDE4DBCHEACHELMNADRD1
SCHEMBL28660614 0.81 LMNA (0.46) PDE4DBCHEACHELMNADRD1
SCHEMBL18699903 0.81 LMNA (0.46) PDE4DBCHEACHELMNADRD1
SCHEMBL7570125 0.80 BCHE (0.50) PDE4DBCHEACHELMNADRD1

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
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 EP disclosed