SCHEMBL7316571

SCHEMBL7316571

CC(C)[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)C=Cc1ccc(NC(=N)N)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.44
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FPR2 P25090 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HTRA1 Q92743 1/20 0.36

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
SCHEMBL7326842 1.00 MMP2 (0.44) MMP2EGFRSMN1; SMN2MEN1KMT2A
SCHEMBL7326943 1.00 MMP2 (0.44) MMP2EGFRSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7324511 0.94 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL7317296 0.94 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL7321835 0.94 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
SCHEMBL7328326 0.92 MMP2 (0.53) MMP2EGFRSMN1; SMN2MEN1KMT2A
SCHEMBL7328374 0.90 SMN1; SMN2 (0.46) MMP2EGFRSMN1; SMN2MEN1KMT2A
SCHEMBL7329506 0.89 NOS2 (0.40) MMP2EGFRNOS2HTRA1
SCHEMBL7324333 0.87 NOS3 (0.45) MMP2FPR2MAPTNOS3NOS1
Trifluoroacetic Acid SCHEMBL7321339 0.86 CTSB (0.41) MMP2HTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed