SCHEMBL28680902

SCHEMBL28680902

C=C1CC(=O)CCCC(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
BTK Q06187 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HPGD P15428 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
SCHEMBL762706 0.84 THRB (0.42) THRBHRH3MAPK1BTKDDB1
SCHEMBL28294668 0.80 HRH3 (0.40) THRBHRH3MAPK1BTKDDB1
SCHEMBL9954696 0.79 HRH3 (0.42) THRBHRH3MAPK1BTKDDB1
SCHEMBL12401941 0.79 HRH3 (0.42) THRBHRH3MAPK1BTKDDB1
SCHEMBL15167444 0.75 MAPK1 (0.40) HRH3MAPK1BTKHPGD
SCHEMBL1139839 0.74 MAPK1 (0.40) THRBHRH3MAPK1BTKDDB1
SCHEMBL10058228 0.74 MAPK1 (0.40) THRBHRH3MAPK1BTKDDB1
SCHEMBL20743818 0.74 HRH3 (0.43) HRH3MAPK1BTKHPGD
SCHEMBL1700349 0.72 HRH3 (0.44) HRH3MAPK1BTKDDB1CRBN
SCHEMBL1690233 0.71 HRH3 (0.49) HRH3MAPK1BTKHPGD

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-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed