SCHEMBL23399993

SCHEMBL23399993

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TRPV1 Q8NER1 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
S1PR1 P21453 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PTGIR P43119 2/20 0.32
MAPT P10636 2/20 0.32
NR1H2 P55055 2/20 0.31
TSHR P16473 2/20 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
SCHEMBL23402213 0.87 MEN1 (0.33) ALDH1A1SMN1; SMN2KDM4EL3MBTL1NPC1
SCHEMBL23402035 0.85 SLC16A3 (0.37) CNR2SLC16A3SLC16A1ALDH1A1CNR1
SCHEMBL23401583 0.84 HTR2A (0.43) ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPT
SCHEMBL23400152 0.82 ATM (0.34) CNR2ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL23400198 0.81 MEN1 (0.42) ALDH1A1SMN1; SMN2CNR1KDM4EGAA
SCHEMBL23401641 0.81 TRPV1 (0.39) CNR2SLC16A3SLC16A1ALDH1A1TRPV1
SCHEMBL23399457 0.81 ALDH1A1 (0.40) CNR2ALDH1A1TRPV1SMN1; SMN2CNR1
SCHEMBL23403583 0.81 CNR2 (0.40) CNR2ALDH1A1TRPV1SMN1; SMN2CNR1
SCHEMBL23401439 0.79 ALDH1A1 (0.41) CNR2SLC16A3SLC16A1ALDH1A1TRPV1
SCHEMBL23403553 0.78 HTR2A (0.43) TSHRHPGDPOLBKMT2A

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