SCHEMBL7601073

SCHEMBL7601073

CCCCCCCCCCCCCC(C)[N+]([O-])(CC(C)O)CC(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.42
PSMD14 O00487 2/20 0.42
PLA2G1B P04054 2/20 0.42
MMP2 P08253 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RAD52 P43351 1/20 0.42
LSS P48449 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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
SCHEMBL4921569 0.80 LMNA (0.45) SPHK1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL8653371 0.80 LMNA (0.45) SPHK1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL7773420 0.78 PSMD14 (0.44) SPHK1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL4411679 0.75 CA1 (0.43) SPHK1LSSGPR84CA1FFAR1
SCHEMBL11427619 0.75 CA1 (0.43) SPHK1LSSGPR84CA1FFAR1
SCHEMBL8986353 0.75 CA1 (0.43) SPHK1LSSGPR84CA1FFAR1
SCHEMBL11415070 0.75 CA1 (0.43) SPHK1LSSGPR84CA1FFAR1
SCHEMBL8016901 0.75 CA1 (0.43) SPHK1LSSGPR84CA1FFAR1
SCHEMBL27075183 0.74 OPRM1 (0.44) SPHK1LSSGPR84CA1LMNA
SCHEMBL27075162 0.74 OPRM1 (0.44) SPHK1LSSGPR84CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198131-A1 Macroscopic aggregates of microcrystalline zeolites KUZNICKI STEVEN M (US) 2002-12-26 US disclosed
US-6451283-B1 ZEOLITIC MOLECULAR SIEVE COMPOSITIONS AND HYBRID ZEOLITE-SILICA COMPOSITIONS CHARACTERIZED BY NOVEL MORPHOLOGY IN WHICH THE ZEOLITE IS PRESENT AS MACROSCOPIC AGGREGATES OF MICROCRYSTALLINE ZEOLITE. ENGELHARD CORPORATION 2002-09-17 US disclosed
US-6416732-B1 FORMING UNIFORM, MACROSCOPIC AGGREGATES OF ZEOLITE FROM SODIUM HYDROXIDE, SODIUM SILICATE, AND KAOLIN; RAPID EXCHANGE RATES; FOR USE IN WATER PURIFICATION OR SOFTENING FILTERS ENGELHARD CORPORATION 2002-07-09 US disclosed
US-6413492-B1 USING SILICON AND ALUMINUM COMPOUNDS UNDER ALKALINE PH ENGELHARD CORPORATION 2002-07-02 US disclosed
EP-0970017-B1 NOVEL HYBRID ZEOLITE-SILICA COMPOSITIONS ENGELHARD CORP (US) 2001-12-05 EP disclosed
WO-2001070630-A2 A METHOD OF FORMING HIGH ALUMINUM ALUMINOSILICATE ZEOLITES, MICROCRYSTALLINE ZEOLITES AND MACROSCOPIC AGGREGATES THEREOF ENGELHARD CORPORATION (US) 2001-09-27 WO disclosed
EP-0970017-A1 NOVEL HYBRID ZEOLITE-SILICA COMPOSITIONS Engelhard Corporation (US) 2000-01-12 EP disclosed
US-5948383-A COMPLEXING WITH CALCIUM OXIDE ENGELHARD CORPORATION (US) 1999-09-07 US disclosed
US-5942207-A HEATING SODIUM HYDROXIDE, SODIUM SILICATE AND WATER; ADDING MORE SILICATE; ADDING ALUMINUM HYDROXIDE; CRYSTALLIZATION TO FORM A SILICA-ENRICHED MOLECULAR SEIVE HAVING RAPID AND HIGH CAPACITY TO COMPLEX CALCIUM AND MAGNESIUM IONS; BRIGHTNESS ENGELHARD CORPORATION 1999-08-24 US disclosed
WO-1998042622-A1 NOVEL HYBRID ZEOLITE-SILICA COMPOSITIONS ENGELHARD CORPORATION (US) 1998-10-01 WO disclosed
US-5068431-A Reacting a diamine compound with an alkylating compound of an alkylene oxide and then reacting with an alkylating agent and an oxidizing agent WITCO CORPORATION (US) 1991-11-26 US disclosed
US-4864060-A CATIONIC QUATERNARY AMMONIUM GROUP, AMPHOTERIC AMINE OXIDE GROUP WITCO CORPORATION (US) 1989-09-05 US disclosed
EP-0182613-B1 DETERGENT COMPOSITIONS CONTAINING ETHER POLYCARBOXYLATES THE PROCTER & GAMBLE COMPANY (US) 1989-01-25 EP disclosed