SCHEMBL8716356

SCHEMBL8716356

CCCCOc1c(OCCCC)c(C#N)c2ccccc2c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MYB P10242 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 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
SCHEMBL4957939 0.92 LTA4H (0.39) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30509797 0.89 LTA4H (0.42) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1524981 0.89 LTA4H (0.42) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16502323 0.83 FAAH (0.44) LTA4HMAPTHTTLMNAPOLB
SCHEMBL28302103 0.81 MAPT (0.36) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16673312 0.80 GAA (0.43) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL13827211 0.80 ALDH1A1 (0.41) MAPTHTTLMNAPOLBTSHR
SCHEMBL26597967 0.79 MYB (0.40) CYP1A2HTTLMNAGAATDP1
SCHEMBL29363526 0.78 LTA4H (0.52) LTA4HCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL442080 0.78 LTA4H (0.52) LTA4HCYP1A2CYP2C9CYP2C19MAPT

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-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP disclosed