SCHEMBL28838600

SCHEMBL28838600

CNCC(C(=O)OC)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KISS1R Q969F8 4/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ANPEP P15144 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL23342645 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL5516646 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL7433060 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL765081 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL24287124 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL16057295 0.76 SLC1A3 (0.46) KISS1RANPEP
SCHEMBL17476051 0.76 SLC1A3 (0.46) KISS1RANPEP
SCHEMBL10296128 0.76
SCHEMBL10290032 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL17898138 0.76

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-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN disclosed