SCHEMBL4609215

SCHEMBL4609215

C1C2CC3CC1CC(C2)C3[Al](C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 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
Adamantane SCHEMBL31091641 0.71 CYP2C9 (0.43) CYP2C9EPHX2
SCHEMBL387316 0.67 CYP2C9 (0.44) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL29707714 0.66 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL12761 0.66 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL9016497 0.66 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL1527414 0.66 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
SCHEMBL2189873 0.65 CYP2C9 (0.50) CYP2C9EPHX2HSD11B1
SCHEMBL10459155 0.62 CYP2C9 (0.47) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL25252048 0.61 CYP2C9 (0.43) CYP2C9EPHX2
Adamantane SCHEMBL20741994 0.61 CYP2C9 (0.43) CYP2C9EPHX2

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-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP claimed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed