SCHEMBL29103296

SCHEMBL29103296

CCCCCCCOc1ccc(C#Cc2ccc(C=Nc3ccccc3O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.46
FAAH O00519 15/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL28334557 0.85 KDM4E (0.43) NR5A1FAAHMEN1KMT2ALTA4H
SCHEMBL28935100 0.81 NR5A1 (0.36) NR5A1FAAHLTA4H
SCHEMBL12416613 0.79 NR5A1 (0.48) NR5A1FAAHMEN1KMT2ALTA4H
SCHEMBL6369640 0.79 LMNA (0.54) NR5A1FAAHMEN1KMT2ALTA4H
SCHEMBL6420527 0.79 LMNA (0.54) NR5A1FAAHMEN1KMT2ALTA4H
SCHEMBL11804381 0.76 LTA4H (0.55) NR5A1FAAHMEN1KMT2ALTA4H
SCHEMBL11804374 0.76 LTA4H (0.55) NR5A1FAAHMEN1KMT2ALTA4H
SCHEMBL28942158 0.75 LTA4H (0.66) NR5A1FAAHLTA4H
SCHEMBL15559300 0.75 NR5A1 (0.66) NR5A1LTA4H
SCHEMBL10300046 0.75 NR5A1 (0.66) NR5A1LTA4H

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-117026296-A Composite material for photoelectrochemical water decomposition and preparation method and application thereof 陕西师范大学 2023-11-10 CN disclosed