SCHEMBL28814864

SCHEMBL28814864

COC(=O)CC1C2CC3CC1C(Cl)C(C2)C3Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 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
SCHEMBL8102863 0.74 HSD11B1 (0.38) HSD11B1MEN1KMT2ABRD4
SCHEMBL2747443 0.73 HSD11B1 (0.57) HSD11B1MEN1KMT2ABRD4
SCHEMBL10457478 0.67
SCHEMBL23567008 0.67 CHRNB2 (0.48) MEN1KMT2ABRD4
SCHEMBL13390625 0.67 MEN1 (0.41) MEN1KMT2ABRD4
SCHEMBL16229100 0.67 HSD11B1 (0.44) HSD11B1MEN1KMT2A
SCHEMBL1066268 0.67 TSHR (0.42) MEN1KMT2ABRD4
SCHEMBL8105700 0.66 SLC6A3 (0.40)
SCHEMBL9875282 0.65 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL9875732 0.65 ALDH1A1 (0.46) MEN1KMT2A

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-104496799-A Preparation method of 2-(3-hydroxyl-1-adamantyl)-2-formylformic acid LIANYUNGANG TECHNICAL COLLEGE 2015-04-08 CN disclosed