SCHEMBL27722575

SCHEMBL27722575

CN[C@@H](C)C(=O)NC(C)N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
XIAP P98170 3/20 0.32
BIRC2 Q13490 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
SCHEMBL22525115 0.79 CA12 (0.39) DPP4XIAPBIRC2
SCHEMBL13050528 0.79 CA12 (0.39) DPP4XIAPBIRC2
SCHEMBL23976416 0.79 CA12 (0.39) DPP4XIAPBIRC2
SCHEMBL27702207 0.78 DPP4 (0.35) DPP4FAPDPP8DPP9DPP7
SCHEMBL27717621 0.78 MME (0.35) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL30225259 0.77 CA12 (0.37) XIAPBIRC2
SCHEMBL27717608 0.76 TSHR (0.34) DPP4
SCHEMBL25966356 0.76
SCHEMBL10770312 0.76
SCHEMBL14076482 0.75 XIAP (0.38) XIAPBIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
CN-102319184-A Parakeratosis inhibitor, pore contracting agent and composition for external application SHISEIDO CO LTD 2012-01-18 CN disclosed
CN-101175470-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2011-09-14 CN disclosed
CN-101175470-A Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2008-05-07 CN disclosed