SCHEMBL5580323

SCHEMBL5580323

CC(C)(C)OC(=O)N[C@H](CCS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSS P25774 5/20 0.49
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
PPARD Q03181 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL2119738 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL2119739 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL474895 0.86 HDAC4 (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16001103 0.86 HDAC4 (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL474893 0.86 HDAC4 (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL30788769 0.86 HDAC4 (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL6745774 0.86 CTSK (0.56) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL14150791 0.86 CTSK (0.56) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1564513 0.86 KDM4E (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6837916 0.86 CTSK (0.56) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070264667-A1 Method and system for assaying transferase activity GELLIBOLIAN ROBERT 2007-11-15 US disclosed
WO-2005024380-A9 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-07-07 WO disclosed
WO-2005024380-A2 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-03-17 WO disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed