2-Naphthaldehyde

2-Naphthaldehyde

SCHEMBL8035927

NC1CCCCC1.NCC(N)C(=O)O.O=Cc1ccc2ccccc2c1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
EPHX1 P07099 1/20 0.39
KIF11 P52732 2/20 0.38
METAP2 P50579 4/20 0.38
METAP1 P53582 3/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTR1E P28566 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
2-Naphthaldehyde SCHEMBL8035922 1.00 GRIK1 (0.46) GRIK1GRIK2GRIK3PPARGPPARA
2-Naphthaldehyde SCHEMBL8025531 0.88 GRIK1 (0.43) GRIK1GRIK2GRIK3PPARGPPARA
2-Naphthaldehyde SCHEMBL8025528 0.88 GRIK1 (0.43) GRIK1GRIK2GRIK3PPARGPPARA
2-Naphthaldehyde SCHEMBL7797967 0.88 GRIK1 (0.39) GRIK1GRIK2GRIK3PPARGPPARA
Benzaldehyde SCHEMBL8035694 0.88 KIF11 (0.42) GRIK1GRIK2PPARGPPARAKIF11
Cyclohexylamine SCHEMBL8041275 0.85 LTA4H (0.40) PPARGPPARAEPHX1KIF11METAP2
Cyclohexylamine SCHEMBL8041272 0.85 LTA4H (0.40) PPARGPPARAEPHX1KIF11METAP2
2-Naphthaldehyde SCHEMBL7797994 0.85 RAB9A (0.41) EPHX1LMNA
Cyclohexylamine SCHEMBL8037292 0.83 EPOR (0.41) GRIK1GRIK2PPARGPPARAMEN1
Cyclohexylamine SCHEMBL8037294 0.83 EPOR (0.41) GRIK1GRIK2PPARGPPARAMEN1

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
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed