Adamantane

Adamantane

SCHEMBL28909417

C1C2CC3CC1CC(C2)C3.C=CC(=O)OCC.N=C=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 5/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
THRB P10828 2/20 0.36
ESR1 P03372 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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 SCHEMBL6706214 0.91 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28975628 0.89 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL27943602 0.89 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL19284484 0.89 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL1968900 0.89 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28719965 0.84 HCAR2 (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28280450 0.84 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3180 0.79
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.79 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.79 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A

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-115322605-A Host-guest self-repairing antifogging coating and preparation method thereof 吉林大学 2022-11-11 CN disclosed