Naphthalene

Naphthalene

SCHEMBL2834576

O=C(O)C=CC(=O)O.c1ccc2ccccc2c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 1/20 0.44
HCAR2 Q8TDS4 4/20 0.56
HDAC3 O15379 1/20 0.56
TNKS O95271 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.53
KDM4E B2RXH2 3/20 0.50

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
Naphthalene SCHEMBL2834571 1.00 HCAR2 (0.56) HCAR2HDAC3TNKSHDAC4HDAC1
Naphthalene SCHEMBL28796710 0.95 HCAR2 (0.52) HCAR2HDAC3TNKSHDAC4HDAC1
Naphthalene SCHEMBL28312215 0.85 HCAR2 (0.48) HCAR2HDAC3TNKSHDAC4HDAC1
Cinnamic Acid SCHEMBL1791128 0.83 HCAR2 (0.86) HCAR2HDAC3TNKSHDAC4HDAC1
Biphenyl SCHEMBL5421614 0.82 ALDH1A1 (0.63) HCAR2HDAC3TNKSHDAC4HDAC1
Biphenyl SCHEMBL9816554 0.82 ALDH1A1 (0.63) HCAR2HDAC3TNKSHDAC4HDAC1
Naphthalene SCHEMBL30742789 0.82 LMNA (0.59) HCAR2HDAC3TNKSHDAC4HDAC1
Biphenyl SCHEMBL10898338 0.82 ALDH1A1 (0.63) HCAR2HDAC3TNKSHDAC4HDAC1
Biphenyl SCHEMBL28611778 0.82 ALDH1A1 (0.63) HCAR2HDAC3TNKSHDAC4HDAC1
Naphthalene SCHEMBL3296369 0.82 LMNA (0.59) HCAR2HDAC3TNKSHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065456-B2 RESIN COMPOSITION FOR DAMPING MATERIAL AND DAMPING MATERIAL KOATSU GAS KOGYO (JP) 2021-03-31 EP disclosed
US-8609763-B2 Resin composition for vibration damping material and vibration damping material KOATSU GAS KOGYO CO., LTD. (JP) 2013-12-17 US disclosed
US-20100010107-A1 RESIN COMPOSITION FOR VIBRATION DAMPING MATERIAL AND VIBRATION DAMPING MATERIAL KOATSU GAS KOGYO CO., LTD. (JP) 2010-01-14 US disclosed
EP-2065456-A1 RESIN COMPOSITION FOR DAMPING MATERIAL AND DAMPING MATERIAL Koatsu Gas Kogyo Co., Ltd. (JP) 2009-06-03 EP disclosed
CN-1063870-A Ring-substituted 2-amino-1, 2, 3, 4-tetrahydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1992-08-26 CN disclosed