SCHEMBL2637830

SCHEMBL2637830

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
CTSC P53634 1/20 0.40
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
BMP1 P13497 1/20 0.32
DPP7 Q9UHL4 2/20 0.31
FAP Q12884 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SPHK1 Q9NYA1 4/20 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
SCHEMBL2182854 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL2638573 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL2638531 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL8846990 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL2638683 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL2638569 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL2638527 1.00 DPP4 (0.42) DPP4DPP8DPP9CTSCALOX15
SCHEMBL10796462 0.88 CTSC (0.52) DPP4DPP8DPP9CTSC
SCHEMBL7333594 0.85 CTSC (0.37) DPP4DPP8DPP9CTSCDPP7
SCHEMBL2189526 0.85 PDCD1LG2 (0.35) DPP4DPP8DPP9CTSCPDCD1LG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08503694-A 1996-04-23 JP claimed
EP-0664711-A1 PEPTIDE INHIBITORS OF CELLULAR ADHESION CENTOCOR INC. (US) 1995-08-02 EP claimed
WO-1994005310-A1 PEPTIDE INHIBITORS OF CELLULAR ADHESION CENTOCOR, INC. (US) 1994-03-17 WO claimed
US-5753617-A CYCLIC PEPTIDES INHIBIT LEUKOCYTE ADHESION TO ENDOTHELIUM OR TO PLATELETS CENTOCOR, INC. (US) 1998-05-19 US disclosed
EP-0664711-A1 PEPTIDE INHIBITORS OF CELLULAR ADHESION CENTOCOR INC. (US) 1995-08-02 EP disclosed
WO-1994005310-A1 PEPTIDE INHIBITORS OF CELLULAR ADHESION CENTOCOR, INC. (US) 1994-03-17 WO disclosed