SCHEMBL11234716

SCHEMBL11234716

C=CCC1=Nc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TRPA1 O75762 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KMT2A Q03164 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ACHE P22303 2/20 0.31

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
SCHEMBL11766523 0.86 XDH (0.31)
SCHEMBL472874 0.76 LMNA (0.34) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL11563083 0.75 NOS3 (0.39) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL822111 0.75 HRH4 (0.40) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL5833897 0.75 NOS3 (0.44) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL14300643 0.75 NOS3 (0.39) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL11565601 0.75 NOS3 (0.39) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL9380549 0.74 MAPT (0.47) NOS3NOS1NOS2HRH4NPC1
SCHEMBL9006274 0.73 HRH4 (0.32) NOS3NOS1NOS2HRH4ADRA1D
SCHEMBL20581797 0.72 TRPA1 (0.40) NOS3NOS1NOS2TRPA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314058-A Indolins styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 US disclosed
US-4139274-A Apparatus for changing color MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-02-13 US disclosed