SCHEMBL30448722

SCHEMBL30448722

CC(C)(C)OC(=O)C1NCC2C(C(=O)O)C12C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
BTK Q06187 1/20 0.31

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
SCHEMBL14276378 0.69 MAPK1 (0.35) MAPK1BTK
SCHEMBL2861741 0.69 MAPK1 (0.35) MAPK1BTK
SCHEMBL10329704 0.69 MAPK1 (0.35) MAPK1BTK
SCHEMBL5149753 0.68 MAPK1 (0.37) MAPK1
SCHEMBL29624397 0.67 MAPK1 (0.35) MAPK1
SCHEMBL3978820 0.66 CYP2D6 (0.39) MAPK1BTK
SCHEMBL2425461 0.66 MAPK1 (0.34) MAPK1
SCHEMBL6161938 0.66 MAPK1 (0.34) MAPK1
SCHEMBL2425462 0.66 MAPK1 (0.34) MAPK1
SCHEMBL30479059 0.64 BTK (0.35) MAPK1BTK

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-113717161-B Nitrogen-containing saturated heterocyclic compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2023-06-09 CN disclosed