SCHEMBL6465662

SCHEMBL6465662

CC(C)(C)C1C2CC3CC1CC(PC(PC14CC5CC(C1)C(C(C)(C)C)C(C5)C4)c1ccccc1)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
EPHX1 P07099 1/20 0.33
HSD11B1 P28845 3/20 0.32
HSD11B2 P80365 2/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL4068587 0.87 HSD11B1 (0.30) HSD11B1HSD11B2
SCHEMBL29033699 0.75 EPHX2 (0.38) EPHX2EPHX1HSD11B1SIGMAR1
SCHEMBL5734633 0.72 GRIN2D (0.34) EPHX2EPHX1HSD11B1SIGMAR1
SCHEMBL4061204 0.70 SIGMAR1 (0.34) EPHX2SIGMAR1
SCHEMBL20724768 0.69 EPHX2 (0.40) EPHX2HSD11B1HSD11B2
SCHEMBL19808239 0.69 EPHX2 (0.40) EPHX2HSD11B1HSD11B2
SCHEMBL19808243 0.69 EPHX2 (0.40) EPHX2HSD11B1HSD11B2
SCHEMBL19808587 0.65 LMNA (0.51) EPHX2HSD11B1HSD11B2
SCHEMBL19808662 0.65 NPC1 (0.39) HSD11B1HSD11B2
SCHEMBL6465665 0.64 EPHX2 (0.33) EPHX2HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534427-A1 AN ADAMANTYL CATALYTIC SYSTEM Lucite International UK Limited (GB) 2005-06-01 EP disclosed
WO-2004014552-A1 A PHOSPHA-ADAMANTANE (S) CATALYTIC SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2004-02-19 WO disclosed