SCHEMBL28812929

SCHEMBL28812929

C=CC1CCCN1C(=O)N1CCCC1C=C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRC P12931 1/20 0.34
FAP Q12884 3/20 0.32
PREP P48147 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ACE P12821 3/20 0.30
DPP7 Q9UHL4 2/20 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
SCHEMBL3604828 0.85 DPP4 (0.36) DPP4POLBL3MBTL1SRCFAP
SCHEMBL3355865 0.85 DPP4 (0.36) DPP4POLBL3MBTL1SRCFAP
SCHEMBL6809998 0.85 DPP4 (0.36) DPP4POLBL3MBTL1SRCFAP
SCHEMBL29138549 0.83 DPP4 (0.35) DPP4POLBL3MBTL1SRCFAP
SCHEMBL17364370 0.83 CHRM2 (0.39)
SCHEMBL21409476 0.79 DPP4 (0.35) DPP4POLBL3MBTL1CA12CA1
SCHEMBL23563034 0.79 DPP4 (0.36) DPP4POLBL3MBTL1FAPPREP
SCHEMBL22198077 0.76 DPP4 (0.34) DPP4POLBL3MBTL1ACE
SCHEMBL20221604 0.75 SMN1; SMN2 (0.46) DPP4POLBL3MBTL1FAPPREP
SCHEMBL5848791 0.75 HSD17B10 (0.48) L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746398-A Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents 摩登纳特斯有限公司 2022-07-12 CN disclosed
CN-104927828-B High temperature resistant organic zirconium crosslinker and preparation method thereof and a kind of fracturing fluid gel and preparation method thereof 中国石油集团渤海钻探工程有限公司 2017-08-01 CN disclosed