SCHEMBL5034810

SCHEMBL5034810

NCCCCC(NC(=O)C1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
FOLH1 Q04609 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
C3AR1 Q16581 1/20 0.45
MCHR1 Q99705 1/20 0.45
CPB2 Q96IY4 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CTSB P07858 1/20 0.42
PLG P00747 1/20 0.41
ERAP2 Q6P179 2/20 0.41
LNPEP Q9UIQ6 2/20 0.41

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
SCHEMBL5034811 1.00 MMP2 (0.47) MMP2MMP9FOLH1HDAC3HDAC4
SCHEMBL5032097 0.85 HDAC1 (0.47) MCHR1CPB2CTSB
SCHEMBL5032091 0.85 HDAC1 (0.47) MCHR1CPB2CTSB
SCHEMBL2243802 0.83 KMT2A (0.53) MMP2MMP9HDAC3HDAC4HDAC7
SCHEMBL29352159 0.82 TLR2 (0.58) TLR2
SCHEMBL29514436 0.82 TLR2 (0.58) TLR2
SCHEMBL29466503 0.82 TLR2 (0.58) TLR2
SCHEMBL29865029 0.82 TLR2 (0.58) TLR2
SCHEMBL3624369 0.82 TLR2 (0.58) TLR2
SCHEMBL29602166 0.82 TLR2 (0.58) TLR2

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-2008144728-A1 CONJUGATES WHICH BIND A BLOOD PROTEIN SUCH AS HUMAN SERUM ALBUMIN AND METHODS OF USING THE SAME IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2008-11-27 WO disclosed