SCHEMBL6557192

SCHEMBL6557192

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
CA2 P00918 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
THRB P10828 1/20 0.45
KLK5 Q9Y337 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL31075491 1.00 CTSS (0.56) CTSSCTSKCA2POLBKMT2A
SCHEMBL6555098 0.88 CTSS (0.56) CTSSCTSKCA2KMT2AMEN1
SCHEMBL23975809 0.88 CTSS (0.61) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL7414151 0.88 CTSS (0.61) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL7414154 0.88 CTSS (0.61) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL21585117 0.87 CA2 (0.56) CTSSCTSKCA2KMT2AMEN1
SCHEMBL21585118 0.86 CA2 (0.55) CTSSCTSKCA2KMT2AMEN1
SCHEMBL21585121 0.86 CTSS (0.54) CTSSCTSKCA2KMT2AMEN1
SCHEMBL7416780 0.86 CTSS (0.54) CTSSCTSKCA2KMT2AMEN1
SCHEMBL7407818 0.86 CTSS (0.54) CTSSCTSKCA2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797447-B1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES UNIV ARIZONA (US) 2004-03-03 EP disclosed
EP-0797447-A4 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES UNIV ARIZONA (US) 1999-09-29 EP disclosed
EP-0797447-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1997-10-01 EP disclosed
US-5663149-A ANTICARCINOGENIC AGENTS RELATED TO DOLASTATIN ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-09-02 US disclosed
WO-1996018408-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1996-06-20 WO disclosed