SCHEMBL3100453

SCHEMBL3100453

CNC(=O)[C@H](CCCN)NCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MMP1 P03956 3/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 1/20 0.35
MME P08473 4/20 0.34
ECE1 P42892 4/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 1/20 0.33
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
TLR2 O60603 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
SCHEMBL3095525 0.95 FOLH1 (0.39) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3105990 0.85 SIRT6 (0.35) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2979463 0.85 FOLH1 (0.42) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2979464 0.85 FOLH1 (0.42) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2979466 0.85 FOLH1 (0.42) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3094807 0.81 LMNA (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3094812 0.81 LMNA (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3105775 0.81 FPR2 (0.37) MMP1MMP3MMP9FOLH1CYP1A2
SCHEMBL2987576 0.80 FOLH1 (0.49) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2987580 0.80 FOLH1 (0.49) LMNACYP3A4NFKB1BLMPMP22

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed