SCHEMBL7986502

SCHEMBL7986502

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
ACE P12821 1/20 0.50
USP30 Q70CQ3 5/20 0.49
CA2 P00918 1/20 0.49
BCL2 P10415 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
TSHR P16473 1/20 0.47
P2RX7 Q99572 1/20 0.47
PABPC1 P11940 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL25095270 0.91 ALDH1A1 (0.57) ITGB3ITGA2BACEBCL2ALDH1A1
SCHEMBL7989052 0.90 ACE (0.58) CTSSCTSKITGB3ITGA2BACE
SCHEMBL2109180 0.87 CTSS (0.72) CTSSCTSKITGB3ITGA2BACE
SCHEMBL479232 0.87 CTSS (0.72) CTSSCTSKITGB3ITGA2BACE
SCHEMBL479234 0.87 CTSS (0.72) CTSSCTSKITGB3ITGA2BACE
SCHEMBL3820732 0.83 ACE (0.57) CTSSCTSKITGB3ITGA2BACE
SCHEMBL3728107 0.83 CTSS (0.67) CTSSCTSKITGB3ITGA2BACE
SCHEMBL3728110 0.83 CTSS (0.67) CTSSCTSKITGB3ITGA2BACE
SCHEMBL8295985 0.82 ALDH1A1 (0.54) CTSSCTSKACECA2BCL2
SCHEMBL20715725 0.82 BCL2 (0.56) CTSSCTSKACECA2BCL2

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed