Naphthalene

Naphthalene

SCHEMBL8164671

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

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PRNP P04156 1/20 0.43
MAPK10 P53779 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
UGT2B7 P16662 1/20 0.41

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
Biphenyl SCHEMBL28073453 0.84 PTGS2 (0.61) PTGS2MAPTSMN1; SMN2ALDH1A1
Naphthalene SCHEMBL28289269 0.84 TP53 (0.58) LMNANPSR1PTGS2CYP2D6SRC
Biphenyl SCHEMBL1774586 0.84 PTGS2 (0.61) PTGS2MAPTSMN1; SMN2ALDH1A1
Methylmalonic Acid SCHEMBL27861389 0.83 TP53 (0.50) LMNANPSR1PTGS2MAPTXBP1
Methylmalonic Acid SCHEMBL27707735 0.82 LMNA (0.50) LMNANPSR1PTGS2MAPTXBP1
Naphthalene SCHEMBL27680243 0.82 ALDH1A1 (0.44) LMNANPSR1PTGS2CYP2D6SRC
Naphthalene SCHEMBL699807 0.82 TAAR1 (0.46) LMNANPSR1PTGS2CYP2D6SRC
Naphthalene SCHEMBL699808 0.82 TAAR1 (0.46) LMNANPSR1PTGS2CYP2D6SRC
Methylmalonic Acid SCHEMBL27707757 0.82 CA12 (0.55) LMNANPSR1PTGS2MAPTXBP1
Naphthalene SCHEMBL9080630 0.80 PTGS2 (0.42) LMNANPSR1PTGS2MAPTCYP2D6

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-6071846-A OLEFIN POLYMERIZATION CATALYST WHICH ALLOWS A POLYOLEFIN TO HAVE HIGH STEREOREGULARITY AND HIGH POLYMERIZATION ACTIVITY; SOLID TITANIUM CATALYST COMPONENT COMPRISES A MAGNESIUM ATOM, TITANIUM ATOM, HALOGEN ATOM AND ELECTRON DONOR TOKUYAMA CORPORATION (JP) 2000-06-06 US disclosed
EP-0739907-B1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORP (JP) 1999-12-01 EP disclosed
EP-0739907-A1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORPORATION (JP) 1996-10-30 EP disclosed