SCHEMBL7327405

SCHEMBL7327405

N=C(N)Nc1ccc(C=CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
MMP2 P08253 4/20 0.37
HDAC3 O15379 13/20 0.36
HDAC4 P56524 13/20 0.36
HDAC1 Q13547 13/20 0.36
HDAC7 Q8WUI4 13/20 0.36
HDAC2 Q92769 13/20 0.36
HDAC10 Q969S8 13/20 0.36
HDAC11 Q96DB2 13/20 0.36
HDAC8 Q9BY41 13/20 0.36
HDAC6 Q9UBN7 13/20 0.36
HDAC9 Q9UKV0 13/20 0.36
HDAC5 Q9UQL6 13/20 0.36
NOS2 P35228 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL7328417 0.95 PPARG (0.37) PPARGMMP2HDAC3HDAC4HDAC1
SCHEMBL7324926 0.83 NOS2 (0.51) PPARGNOS2
SCHEMBL7321906 0.83 MMP2 (0.43) PPARGMMP2HDAC3HDAC4HDAC1
SCHEMBL7318683 0.83 MMP2 (0.43) PPARGMMP2HDAC3HDAC4HDAC1
SCHEMBL7322068 0.81 PPARG (0.47) PPARGMMP2NOS2
SCHEMBL7324333 0.80 NOS3 (0.45) MMP2NOS2
SCHEMBL7329586 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7328374 0.79 SMN1; SMN2 (0.46) MMP2NOS2
SCHEMBL7330015 0.79 MMP2 (0.42) PPARGMMP2
Trifluoroacetic Acid SCHEMBL7327858 0.78 MMP2 (0.41) PPARGMMP2NOS2

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-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed