SCHEMBL28016129

SCHEMBL28016129

CC1C2CC3(O)CC1CC(O)(C2)C3

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 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
SCHEMBL2572445 0.73 PKM (0.32) PKM
SCHEMBL1222979 0.71 PKM (0.36) PKM
SCHEMBL28015550 0.70
SCHEMBL19798655 0.70
Ammonia Solution, Strong SCHEMBL28328924 0.69 HSD11B1 (0.38) PKM
SCHEMBL13177512 0.66
SCHEMBL13177511 0.66
SCHEMBL1223163 0.64 HSD11B1 (0.36)
SCHEMBL15858211 0.63 PKM (0.64) PKM
SCHEMBL1150706 0.63 PKM (0.64) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557472-A Adamantane derivative, preparation method and application in epoxy resin UNIV BEIJING CHEMICAL 2015-04-29 CN disclosed