SCHEMBL8843334

SCHEMBL8843334

N=CCN[C@@H](CCCN)C(=O)O.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
TLR2 O60603 2/20 0.39
NQO1 P15559 1/20 0.37
ACE P12821 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GGT1 P19440 1/20 0.34
CPB2 Q96IY4 2/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL3433410 0.85 FOLH1 (0.42) MMP2MMP9TLR2CA1CA2
SCHEMBL27799398 0.85 FOLH1 (0.42) MMP2MMP9TLR2CA1CA2
SCHEMBL232126 0.85 FOLH1 (0.42) MMP2MMP9TLR2CA1CA2
Hydrochloric Acid SCHEMBL15923983 0.83 FOLH1 (0.41) MMP2MMP9TLR2CA1CA2
SCHEMBL45766 0.80 FOLH1 (0.49) MMP2MMP9TLR2CA1CA2
SCHEMBL6676701 0.80 FOLH1 (0.49) MMP2MMP9TLR2CA1CA2
Hydrochloric Acid SCHEMBL15923088 0.79 FOLH1 (0.47) MMP2MMP9TLR2CA1CA2
Acetic Acid SCHEMBL268741 0.76 FOLH1 (0.45) MMP2MMP9TLR2CA1CA2
SCHEMBL27453149 0.75 TLR2 (0.61) MMP2MMP9TLR2NQO1GGT1
SCHEMBL18668641 0.72 MMP2 (0.49) MMP2MMP9TLR2CA1CA2

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-5597809-A METHYL ASPARTATE MEDIATED RETINAL CELL DAMAGE MASSACHUSETTS EYE & EAR INFIRMARY (US) 1997-01-28 US disclosed