SCHEMBL8133237

SCHEMBL8133237

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CTSK P43235 9/20 0.51
CTSS P25774 7/20 0.51
SCN9A Q15858 4/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8133234 1.00 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL7513684 0.86 CTSK (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL8387090 0.81 KMT2A (0.46) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL8121031 0.81 KMT2A (0.46) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL8121033 0.81 KMT2A (0.46) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL9383811 0.81 CTSS (0.58) CTSKCTSSSCN9A
SCHEMBL9383807 0.81 CTSS (0.58) CTSKCTSSSCN9A
SCHEMBL785870 0.80 CTSS (0.56) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL25761193 0.79 HDAC4 (0.67) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL4647008 0.78 HDAC4 (0.46) HDAC4HDAC1HDAC6CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527889-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2000-08-02 EP disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0360258-B1 Amino acid quinoline and naphthyridine derivatives ABBOTT LAB (US) 1996-08-14 EP disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
EP-0424802-B1 Tricyclic quinoline antineoplastic agents ABBOTT LAB (US) 1995-12-20 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed
EP-0527889-A4 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 1994-08-10 EP disclosed
EP-0527889-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1993-02-24 EP disclosed
US-5071848-A TRICYCLIC QUINOLINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1991-12-10 US disclosed
WO-1991016894-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-14 WO disclosed
US-5057520-A Water solubility ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
US-5057523-A Water soluble bactericide ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
EP-0424802-A2 Tricyclic quinoline antineoplastic agents ABBOTT LABORATORIES (US) 1991-05-02 EP disclosed