SCHEMBL22648329

SCHEMBL22648329

C=CC(CCC)NC(=O)[C@H](N)CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 10/20 0.38
▸ DPP9 Q86TI2 9/20 0.38
▸ DPP8 Q6V1X1 8/20 0.38
▸ DPP4 P27487 6/20 0.38
▸ CTSB P07858 1/20 0.34
▸ CTSH P09668 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CTSC P53634 1/20 0.34
▸ SLC15A1 P46059 1/20 0.32
▸ GRIK1 P39086 2/20 0.31
▸ GRIK2 Q13002 2/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 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
SCHEMBL8525065 0.74 ECE1 (0.45) DPP7DPP9DPP8DPP4GRIK1
SCHEMBL11523628 0.72 PLA2G2C (0.39) CTSKHDAC7HDAC8HDAC6HDAC9
SCHEMBL20183116 0.72 TAS1R3 (0.30) TAS1R3TAS1R1
SCHEMBL19090986 0.71 CA12 (0.39) DPP7DPP9DPP8DPP4CTSC
SCHEMBL11525696 0.71 CYP2C9 (0.41) CTSKHDAC7HDAC8HDAC6HDAC9
SCHEMBL15866437 0.70 PAX8 (0.35) DPP9DPP8DPP4
SCHEMBL10888528 0.70 DPP4 (0.44) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL10891150 0.70 DPP4 (0.44) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL14899283 0.70 CAPN1 (0.45) DPP9DPP8DPP4CTSBCTSK
SCHEMBL3678079 0.70 CTSK (0.48) DPP7DPP9DPP8DPP4CTSB

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
WO-2020225245-A1 VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF IPROTEOS, S.L. (ES) 2020-11-12 — — WO disclosed
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