SCHEMBL7318683

SCHEMBL7318683

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.43
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
PPARG P37231 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ECE1 P42892 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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 SCHEMBL7327858 0.94 MMP2 (0.41) MMP2CA1CA2PPARG
SCHEMBL7321906 0.92 MMP2 (0.43) MMP2CA1CA2PPARGMEN1
SCHEMBL7324333 0.89 NOS3 (0.45) MMP2CA1CA2MAPT
SCHEMBL7324926 0.88 NOS2 (0.51) PPARG
SCHEMBL7328374 0.88 SMN1; SMN2 (0.46) MMP2MEN1KMT2AITGB3ITGA2B
SCHEMBL7330015 0.87 MMP2 (0.42) MMP2CA1CA2PPARG
SCHEMBL7322068 0.86 PPARG (0.47) MMP2CA1CA2PPARGMMP1
SCHEMBL9297093 0.86 MMP2 (0.41) MMP2KMT2A
SCHEMBL7326842 0.86 MMP2 (0.44) MMP2MEN1KMT2AITGB3ITGA2B
SCHEMBL7326943 0.86 MMP2 (0.44) MMP2MEN1KMT2AITGB3ITGA2B

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