SCHEMBL6130367

SCHEMBL6130367

CC[C@H]1CCC[C@H](CC)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL6130369 1.00 CYP1A2 (0.38) CYP1A2NOS3NOS1NOS2
SCHEMBL6130368 1.00 CYP1A2 (0.38) CYP1A2NOS3NOS1NOS2
SCHEMBL135139 1.00 CYP1A2 (0.38) CYP1A2NOS3NOS1NOS2
SCHEMBL10624513 0.93 CYP1A2 (0.43) CYP1A2NOS3NOS1NOS2
SCHEMBL16191076 0.91 CYP1A2 (0.39) CYP1A2
SCHEMBL16191305 0.91 CYP1A2 (0.33) CYP1A2
SCHEMBL24480776 0.87 EPHX2 (0.37) CYP1A2NOS3NOS1NOS2
SCHEMBL13971284 0.87 CYP1A2 (0.31) CYP1A2
SCHEMBL19318047 0.87 EPHX2 (0.37) CYP1A2NOS3NOS1NOS2
SCHEMBL13864798 0.87 EPHX2 (0.37) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409614-A4 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF SULPHCO INC (US) 2005-02-09 EP disclosed
EP-1409614-A1 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF Sulphco, Inc. (US) 2004-04-21 EP disclosed
US-6500219-B1 COMBINING SULFIDE-CONTAINING DIESEL FUEL HAVING CETANE INDEX OF GREATER THAN 50.0 WITH AQUEOUS FLUID AND HYDROPEROXIDE AND ALIPHATIC C15-C20 HYDROCARBON, USING ULTRASOUND TO CAUSE OXIDATION OF SULFIDES SULPHCO, INC. 2002-12-31 US disclosed
WO-2002074884-A1 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF SULPHCO, INC. (US) 2002-09-26 WO disclosed