Adamantane

Adamantane

SCHEMBL28643307

C1C2CC3CC1CC(C2)C3.COC(=O)C(C)(C)Br

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
DGAT1 O75907 1/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
KCNN4 O15554 1/20 0.33
GLA P06280 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
EPHX1 P07099 1/20 0.33
ELANE P08246 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL117832 0.85
Phosphonic Acid SCHEMBL17183012 0.76 DGAT1 (0.39) DGAT1KCNN4ELANEKMT2A
Adamantane SCHEMBL28647589 0.75 GRM2 (0.41) EPHX2EPHX1HSD11B1
SCHEMBL28647587 0.71 CYP19A1 (0.51) EPHX2EPHX1MEN1MAPK1KMT2A
SCHEMBL4300520 0.69 DGAT1 (0.46) DGAT1KCNN4ELANEKMT2A
SCHEMBL27622606 0.69
Adamantane SCHEMBL34463641 0.69 CHRNB2 (0.43) EPHX2CHRNB2CHRNA4GLAEPHX1
SCHEMBL30688676 0.68 KCNN4 (0.34) DGAT1KCNN4MAPK1
SCHEMBL4985246 0.68 GLA (0.42) EPHX2GLAEPHX1MEN1MAPK1
SCHEMBL29990419 0.68 DGAT1 (0.37) DGAT1KCNN4GLAEPHX1KMT2A

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
CN-113388274-B Wear-resistant water-lubricating self-repairing coating and preparation method thereof 中国科学院兰州化学物理研究所 2022-03-08 CN disclosed
CN-113388274-A Wear-resistant water-lubricating self-repairing coating and preparation method thereof 中国科学院兰州化学物理研究所 2021-09-14 CN disclosed