SCHEMBL8772974

SCHEMBL8772974

NCCCC[C@@H](NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.64
GRIA1 P42261 1/20 0.50
HDAC4 P56524 2/20 0.48
MEF2D Q14814 1/20 0.48
EPHX2 P34913 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
HDAC1 Q13547 3/20 0.46
FOLH1 Q04609 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ERAP2 Q6P179 2/20 0.45
LNPEP Q9UIQ6 2/20 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
SCHEMBL825451 1.00 CTSK (0.64) CTSKGRIA1HDAC4MEF2DEPHX2
SCHEMBL4404268 1.00 CTSK (0.64) CTSKGRIA1HDAC4MEF2DEPHX2
SCHEMBL7036665 0.86 CTSK (0.53) CTSKGRIA1HDAC4MEF2DHDAC1
SCHEMBL7036660 0.86 CTSK (0.53) CTSKGRIA1HDAC4MEF2DHDAC1
SCHEMBL8177757 0.86 SMN1; SMN2 (0.60) CTSKGRIA1HDAC4EPHX2HDAC1
SCHEMBL8861463 0.85 EPHX2 (0.50) CTSKGRIA1HDAC4EPHX2HDAC1
SCHEMBL8177140 0.85 SMN1; SMN2 (0.59) CTSKGRIA1HDAC4EPHX2HDAC1
SCHEMBL7036651 0.83 SLC6A5 (0.52) CTSKHDAC4MEF2DHDAC1SMN1; SMN2
SCHEMBL7034276 0.83 P2RX7 (0.52) CTSKMMP2MMP9FOLH1ERAP2
SCHEMBL7034270 0.83 P2RX7 (0.52) CTSKMMP2MMP9FOLH1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800535-A1 FIBRONECTIN ADHESION INHIBITORS ZENECA LIMITED (GB) 1997-10-15 EP claimed
WO-1996020216-A1 FIBRONECTIN ADHESION INHIBITORS ZENECA LIMITED (GB) 1996-07-04 WO claimed
EP-0800535-A1 FIBRONECTIN ADHESION INHIBITORS ZENECA LIMITED (GB) 1997-10-15 EP disclosed
WO-1996020216-A1 FIBRONECTIN ADHESION INHIBITORS ZENECA LIMITED (GB) 1996-07-04 WO disclosed