Naphthalene

Naphthalene

SCHEMBL28059486

CCOC(=O)CCCCC(=O)OCC.c1ccc2ccccc2c1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.63
CYP4A11 Q02928 2/20 0.63
ALDH1A1 P00352 1/20 0.56
TNF P01375 1/20 0.56
TOP2A P11388 2/20 0.54
CYP1A2 P05177 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
ALOX5 P09917 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NAMPT P43490 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
CNR1 P21554 1/20 0.50
FAAH O00519 2/20 0.49

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 SCHEMBL27674005 0.88 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1TNFTOP2A
Toluene SCHEMBL28096369 0.86 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1TOP2ACYP1A2
Benzene SCHEMBL28276050 0.85 CYP1A2 (0.64) CYP4F2CYP4A11ALDH1A1TOP2ACYP1A2
SCHEMBL8422184 0.84 HDAC1 (0.58) CYP4F2CYP4A11CYP1A2GAAALOX5
SCHEMBL7835274 0.84 SMN1; SMN2 (0.58) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL7831694 0.83 HDAC1 (0.60) CYP4F2CYP4A11CYP1A2GAAALOX5
SCHEMBL3379510 0.83 HDAC1 (0.60) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL8570508 0.82 CYP1A2 (0.73) CYP4F2CYP4A11ALDH1A1CYP1A2GAA
SCHEMBL50610 0.82 CYP1A2 (0.73) CYP4F2CYP4A11ALDH1A1CYP1A2GAA
SCHEMBL6771529 0.82 CYP1A2 (0.63) CYP4F2CYP4A11CYP1A2SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721714-A A kind of method that in-situ polymerization prepares high fondant-strength expanded polyester PET 中国石油化工股份有限公司 2019-05-07 CN claimed
CN-107653722-A A kind of flame-retardant expanded rope 界首市宏利塑料有限公司 2018-02-02 CN claimed
CN-103382234-B Process for producing polypropylene PETROCHINA COMPANY LIMITED (CN) 2016-04-06 CN claimed
CN-109721714-A A kind of method that in-situ polymerization prepares high fondant-strength expanded polyester PET 中国石油化工股份有限公司 2019-05-07 CN disclosed
CN-107653722-A A kind of flame-retardant expanded rope 界首市宏利塑料有限公司 2018-02-02 CN disclosed
CN-103382234-B Process for producing polypropylene PETROCHINA COMPANY LIMITED (CN) 2016-04-06 CN disclosed