SCHEMBL23399330

SCHEMBL23399330

CCCCn1nc(CCC)c(O)c1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.38
SLC9A1 P19634 2/20 0.38
MPO P05164 3/20 0.37
TLR8 Q9NR97 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 1/20 0.34
LCK P06239 1/20 0.34
ESR1 P03372 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL23398809 0.96 NR1H3 (0.39) NR1H3SLC9A1MPOTLR8KDM4E
SCHEMBL23399297 0.92 ESR1 (0.38) SLC9A1TLR8ALDH1A1USP2MEN1
SCHEMBL23402546 0.91 MPO (0.41) NR1H3SLC9A1MPOTLR8MEN1
SCHEMBL23403656 0.91 TLR8 (0.37) NR1H3SLC9A1TLR8KDM4EALDH1A1
SCHEMBL23400169 0.88 SMN1; SMN2 (0.35) TLR8USP2
SCHEMBL23401536 0.88 USP2 (0.36) SLC9A1USP2LMNAHPGDCYP1A2
SCHEMBL23402359 0.86 SMN1; SMN2 (0.36) NR1H3SLC9A1MPOTLR8MEN1
SCHEMBL23400324 0.85 NR1H3 (0.40) NR1H3SLC9A1MPOTLR8MEN1
SCHEMBL23400280 0.84 TLR8 (0.38) TLR8KDM4EALDH1A1USP2LMNA
SCHEMBL23398901 0.83 NR1H3 (0.48) NR1H3SLC9A1MPOALDH1A1MEN1

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