Naphthalene

Naphthalene

SCHEMBL28000573

C=Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2.c1ccc2ccccc2c1

nearest known ligand 0.36

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.36
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
APEX1 P27695 1/20 0.33
CNR1 P21554 3/20 0.32
GPR3 P46089 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3553115 0.96 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28643159 0.96 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28641127 0.96 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL3555353 0.96 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28036056 0.89 MMP2 (0.33) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29564428 0.89 MMP2 (0.33) PDK2MMP2MMP9MMP8MMP13
SCHEMBL3786364 0.89 MMP2 (0.33) PDK2MMP2MMP9MMP8MMP13
SCHEMBL3556723 0.88 MMP2 (0.35) PDK2MMP2MMP9MMP8MMP13
SCHEMBL2601875 0.83 MMP2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1356093 0.83 MMP2 (0.38) PDK2MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104387222-B Highly condensed ring [6]helicene compounds based on fluorene and naphthalene and synthetic method thereof 山东大学 2017-02-15 CN claimed
CN-104387222-A Highly condensed ring [6]helicene compounds based on fluorene and naphthalene and synthetic method thereof UNIV SHANDONG 2015-03-04 CN claimed
CN-104387222-B Highly condensed ring [6]helicene compounds based on fluorene and naphthalene and synthetic method thereof 山东大学 2017-02-15 CN disclosed
CN-104387222-A Highly condensed ring [6]helicene compounds based on fluorene and naphthalene and synthetic method thereof UNIV SHANDONG 2015-03-04 CN disclosed