SCHEMBL7328326

SCHEMBL7328326

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.53
F7 P08709 1/20 0.41
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FPR2 P25090 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 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
SCHEMBL7326943 0.92 MMP2 (0.44) MMP2EGFRSMN1; SMN2FPR2MEN1
SCHEMBL7316571 0.92 MMP2 (0.44) MMP2EGFRSMN1; SMN2FPR2MEN1
SCHEMBL7326842 0.92 MMP2 (0.44) MMP2EGFRSMN1; SMN2FPR2MEN1
Trifluoroacetic Acid SCHEMBL7317296 0.87 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL7324511 0.87 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
Trifluoroacetic Acid SCHEMBL7321835 0.87 MMP2 (0.42) MMP2MEN1KMT2ANOS3NOS1
SCHEMBL7328374 0.82 SMN1; SMN2 (0.46) MMP2EGFRSMN1; SMN2MEN1KMT2A
SCHEMBL7329506 0.81 NOS2 (0.40) MMP2EGFRNOS2
SCHEMBL7325092 0.80 MMP2 (0.41) MMP2FPR2MEN1KMT2ANOS3
Trifluoroacetic Acid SCHEMBL7327062 0.80 ITGB1 (0.40) MMP2

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