SCHEMBL5547909

SCHEMBL5547909

CCC(CC)C1CCCC2CCCCC21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SHBG P04278 1/20 0.33

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
SCHEMBL2997145 0.89 SHBG (0.31) CYP1A2SHBG
SCHEMBL11704780 0.88 CYP1A2 (0.31) CYP1A2CYP2D6
SCHEMBL2994866 0.83 CYP1A2 (0.34) CYP1A2CYP2D6SHBG
SCHEMBL5548503 0.83 CYP1A2 (0.34) CYP1A2CYP2D6SHBG
SCHEMBL27504060 0.78 CYP1A2 (0.34) CYP1A2CYP2D6
SCHEMBL814174 0.78
SCHEMBL314992 0.77 DNM1 (0.33) CYP1A2
SCHEMBL10770141 0.76 SHBG (0.38) CYP1A2CYP2D6SHBG
Hydrochloric Acid SCHEMBL27849681 0.76 CYP1A2 (0.32) CYP1A2CYP2D6
SCHEMBL2998504 0.75 CYP1A2 (0.33) CYP1A2CYP2D6

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-20070184311-A1 Fuel cell with reformer JAPAN ENERGY CORPORATION (JP) 2007-08-09 US disclosed
CN-1816936-A Fuel cell with reformer JAPAN ENERGY CORP (JP) 2006-08-09 CN disclosed
EP-1662598-A1 FUEL CELL WITH REFORMER Japan Energy Corporation (JP) 2006-05-31 EP disclosed