SCHEMBL23401641

SCHEMBL23401641

CC(C)Cn1nc(C(C)(C)C)c(O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.34
S1PR1 P21453 1/20 0.34
PTGIR P43119 2/20 0.32
MAPT P10636 2/20 0.32
NR1H2 P55055 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H3 Q13133 1/20 0.32
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL23402817 0.87 MEN1 (0.34) TRPV1CNR2CNR1ALDH1A1KDM4E
SCHEMBL23399352 0.85 SLC16A3 (0.38) CNR2CNR1SLC16A3SLC16A1ALDH1A1
SCHEMBL23402911 0.83 ATM (0.34) ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPT
SCHEMBL23401439 0.83 ALDH1A1 (0.41) TRPV1CNR2CNR1SLC16A3SLC16A1
SCHEMBL23398717 0.83 HTR2A (0.44) ALDH1A1SMN1; SMN2KDM4EL3MBTL1PTGS2
SCHEMBL23399347 0.81 CNR2 (0.37) TRPV1CNR2CNR1SLC16A3SLC16A1
SCHEMBL23399993 0.81 CNR2 (0.37) TRPV1CNR2CNR1SLC16A3SLC16A1
SCHEMBL23402485 0.81 MEN1 (0.43) CNR1ALDH1A1SMN1; SMN2KDM4EPTGS2
SCHEMBL23398456 0.80 CNR2 (0.40) TRPV1CNR2CNR1ALDH1A1SMN1; SMN2
SCHEMBL23399627 0.79 HTR2A (0.43) PTGS2TSHRHPGDPOLBKMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed