SCHEMBL28145441

SCHEMBL28145441

CCCC1=Nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C=C(C(=O)O)C1CCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.43
HPGD P15428 7/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TLR7 Q9NYK1 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GBA1 P04062 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 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
SCHEMBL28129050 0.93 TLR8 (0.43) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL18297270 0.82 TLR8 (0.47) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL28265084 0.79 TLR8 (0.52) TLR8MEN1KMT2ATLR7NPC1
SCHEMBL28145411 0.78 HPGD (0.45) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL28810372 0.77 TLR8 (0.45) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL28840490 0.76 TLR8 (0.45) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL3021829 0.75 TLR8 (0.56) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL18297269 0.73 TLR8 (0.49) TLR8HPGDMAPK1MEN1KMT2A
Formamide SCHEMBL19951508 0.71 TLR8 (0.48) TLR8HPGDMAPK1MEN1KMT2A
SCHEMBL10325045 0.71 TLR8 (0.45) TLR8HPGDMAPK1MEN1KMT2A

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-106749023-A As the substituted benzazepine of toll-like receptor conditioning agent 帆德制药股份有限公司 2017-05-31 CN disclosed