SCHEMBL8586993

SCHEMBL8586993

NC(=O)[C@@H](N)CCC(=O)O.NCCCC[C@H](NC(=O)c1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HDAC4 P56524 4/20 0.44
MEF2D Q14814 1/20 0.44
ERAP2 Q6P179 3/20 0.44
LNPEP Q9UIQ6 3/20 0.44
ERAP1 Q9NZ08 2/20 0.43
GRIA1 P42261 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2121460 0.88 LMNA (0.51) HDAC4MEF2DGRIA1HDAC3HDAC1
SCHEMBL1133842 0.88 LMNA (0.51) HDAC4MEF2DGRIA1HDAC3HDAC1
SCHEMBL210916 0.88 LMNA (0.51) HDAC4MEF2DGRIA1HDAC3HDAC1
SCHEMBL10336284 0.85 LMNA (0.52) HDAC4MEF2DGRIA1HDAC3HDAC1
SCHEMBL10336285 0.85 LMNA (0.52) HDAC4MEF2DGRIA1HDAC3HDAC1
SCHEMBL30038001 0.82 KDM4E (0.64) FOLH1KDM4EHPGDHDAC1HDAC6
SCHEMBL2230077 0.82 KDM4E (0.64) FOLH1KDM4EHPGDHDAC1HDAC6
SCHEMBL8006880 0.79 ERAP2 (0.52) HDAC4MEF2DERAP2LNPEPERAP1
SCHEMBL30036662 0.78 CA2 (0.56) KDM4EHPGDHDAC1HDAC6LMNA
SCHEMBL7415827 0.77 GRIA1 (0.52) HDAC4MEF2DGRIA1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998042730-A1 SUBSTRATES USEFUL IN BOTH AQUEOUS AND ORGANIC MEDIA, AND ASSOCIATED METHODS OF PREPARATION AND USE CHIRON CORPORATION (US) 1998-10-01 WO disclosed