SCHEMBL6465665

SCHEMBL6465665

CC(C)(C)C1C2CC3CC1CC(P(Cc1ccccc1)C14CC5CC(C1)C(C(C)(C)C)C(C5)C4)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.33
HSD11B1 P28845 2/20 0.32
HSD11B2 P80365 2/20 0.32
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5078719 0.93
SCHEMBL14190758 0.87 HSD11B1 (0.30) HSD11B1HSD11B2
SCHEMBL289717 0.82 OPRK1 (0.42) EPHX2HSD11B1OPRK1ALDH1A1TSHR
Bromide SCHEMBL1478373 0.80 OPRK1 (0.41) EPHX2HSD11B1OPRK1ALDH1A1TSHR
SCHEMBL5738047 0.80 OPRK1 (0.41) EPHX2HSD11B1OPRK1ALDH1A1TSHR
SCHEMBL2015640 0.77 ALDH1A1 (0.39) OPRK1ALDH1A1TSHRHPGDP2RX7
SCHEMBL14755281 0.76 HSD11B1 (0.34) EPHX2HSD11B1ALDH1A1TSHRHPGD
SCHEMBL21562234 0.75 HSD11B1 (0.37) EPHX2HSD11B1OPRK1ALDH1A1TSHR
SCHEMBL5734637 0.75 HSD11B1 (0.34) EPHX2HSD11B1OPRK1ALDH1A1TSHR
SCHEMBL2011475 0.73 HPGD (0.39) EPHX2HSD11B1OPRK1ALDH1A1TSHR

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