SCHEMBL11315833

SCHEMBL11315833

CC(C)(C)OC(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.45
FKBP1A P62942 9/20 0.44
ACE P12821 4/20 0.43
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
FAP Q12884 1/20 0.42
PREP P48147 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL11315822 0.84 CMA1 (0.52)
SCHEMBL10829164 0.81 ACE (0.44) KLK7KLK5ACEDPP4DPP8
SCHEMBL8366819 0.81 DPP4 (0.58) KLK5ACEDPP4DPP8DPP9
SCHEMBL7321073 0.81 DPP4 (0.58) KLK5ACEDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL7296993 0.80 DPP4 (0.57) KLK5ACEDPP4DPP8DPP9
SCHEMBL25132999 0.80 FKBP1A (0.54) KLK7KLK5FKBP1AACEPREP
SCHEMBL31072125 0.80 FKBP1A (0.54) KLK7KLK5FKBP1AACEPREP
SCHEMBL31365829 0.80 FKBP1A (0.54) KLK7KLK5FKBP1AACEPREP
Trifluoroacetic Acid SCHEMBL11349940 0.79 ACE (0.53) ACEDPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL11349935 0.79 ACE (0.53) ACEDPP4DPP8DPP9DPP7

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
US-4285857-A Cyclic analogues of callidine CHIPENS GUNAR I 1981-08-25 US disclosed