SCHEMBL6533566

SCHEMBL6533566

C=CCc1cc2ccccc2s1.C=CCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.47
ASIC3 Q9UHC3 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
AGXT P21549 1/20 0.44
ADRB2 P07550 1/20 0.44
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA1D P25100 2/20 0.38
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL377160 0.89 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL30416943 0.89 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL29660 0.80
SCHEMBL28921512 0.79 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL30100831 0.79 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
Methane SCHEMBL21683042 0.78
Ammonia Solution, Strong SCHEMBL1585279 0.78
SCHEMBL8524441 0.78
SCHEMBL9628677 0.78
Hydrochloric Acid SCHEMBL27656714 0.78

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-6846406-B2 Process and catalysts for eliminating sulphur compounds from the gasoline fraction CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-01-25 US disclosed
US-20030183555-A1 Process for the elimination of sulphur compounds from the gasoline fraction, characterized in that it comprises carrying out an oxidation reaction of said sulphur compounds using at least one organic- inorganic composite as a catalyst UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2003-10-02 US disclosed
EP-1342772-A1 PROCESS AND CATALYSTS FOR ELIMINATING SULFUR COMPOUNDS FROM THE GASOLINE FRACTION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-09-10 EP disclosed