SCHEMBL28301699

SCHEMBL28301699

CC(C)(C)C1[C@H]2C[C@@H](O)C[C@H]2CN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 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
SCHEMBL371918 1.00 ATM (0.32) ATMDPP4DPP8DPP9
SCHEMBL2115150 1.00 ATM (0.32) ATMDPP4DPP8DPP9
SCHEMBL28446973 0.82
SCHEMBL29071546 0.80
SCHEMBL4934198 0.80 NR1H2 (0.43)
SCHEMBL23523109 0.78 PLG (0.32)
SCHEMBL372089 0.78
SCHEMBL5939234 0.73
SCHEMBL5939229 0.73
SCHEMBL5937915 0.73 POLB (0.37)

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-109928953-A A kind of carboxylic ester derivative and its purposes in medicine 四川海思科制药有限公司 2019-06-25 CN disclosed