SCHEMBL7328374

SCHEMBL7328374

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 7/20 0.45
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
LTA4H P09960 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.90 MMP2 (0.44) SMN1; SMN2MMP2EGFRMEN1MAPT
SCHEMBL7316571 0.90 MMP2 (0.44) SMN1; SMN2MMP2EGFRMEN1MAPT
SCHEMBL7326943 0.90 MMP2 (0.44) SMN1; SMN2MMP2EGFRMEN1MAPT
SCHEMBL7324333 0.89 NOS3 (0.45) MMP2MAPTNOS3NOS1NOS2
SCHEMBL7321906 0.88 MMP2 (0.43) MMP2MEN1MAPTKMT2AITGB3
SCHEMBL7318683 0.88 MMP2 (0.43) MMP2MEN1MAPTKMT2AITGB3
SCHEMBL9297123 0.87 NOS3 (0.45) MMP2EGFRNOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7321835 0.85 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL7317296 0.85 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL7324511 0.85 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1

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