SCHEMBL9313985

SCHEMBL9313985

CCCCNc1cc(C)cc(C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.65
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
DNM2 P50570 7/20 0.49
NR4A2 P43354 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24672584 0.95 TLR8 (0.58) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL8543215 0.93 DNM2 (0.57) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL13989410 0.90 TLR8 (0.61) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL12963699 0.89 NOS3 (0.55) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL8345724 0.80 NOS3 (0.59) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL16608857 0.80 ALDH1A1 (0.73) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL13989429 0.80 TLR8 (0.50) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL11446300 0.80 NOS3 (0.46) TLR8ALDH1A1MAPK1TP53LMNA
SCHEMBL11454656 0.80 DNM2 (0.55) TLR8ALDH1A1MAPK1NOS3NOS2
SCHEMBL23482212 0.79 GAA (0.56) TLR8ALDH1A1MAPK1TP53NOS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed