SCHEMBL6050397

SCHEMBL6050397

CCCCCCCCCCCCCCCCCCOc1[c]cccc1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MCHR1 Q99705 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR8 Q9NR97 2/20 0.40
NR5A1 Q13285 1/20 0.40
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL3594946 1.00 MEN1 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL18422247 1.00 MEN1 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1451594 1.00 MEN1 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL677748 0.98 CYP1A2 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL677482 0.93 CYP1A2 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6050423 0.91 MEN1 (0.40) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1404339 0.87 MCHR1 (0.39) MEN1LMNACHRM2MAPTHTR2B
SCHEMBL8166039 0.85 CYP1A2 (0.45) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL11375442 0.83 CYP1A2 (0.43) MAPTMCHR1CYP1A2CYP2C9CYP2C19
SCHEMBL15410684 0.83 NR5A1 (0.40) MEN1NR1I2LMNACHRM2CYP3A4

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-1494658-B1 NATURAL PHENOLIC PRODUCTS AND DERIVATIVES THEREOF FOR PROTECTION AGAINST NEURODEGENERATIVE DISEASES PULEVA BIOTECH SA (ES) 2006-01-04 EP claimed