SCHEMBL8091300

SCHEMBL8091300

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
ABCB1 P08183 1/20 0.57
KLK7 P49862 2/20 0.56
KLK5 Q9Y337 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
FOLH1 Q04609 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
SYK P43405 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52

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
SCHEMBL8083532 1.00 MAPT (0.61) MAPTABCB1KLK7KLK5CA1
SCHEMBL25540903 0.90 KLK7 (0.67) MAPTKLK7KLK5CA1CA2
SCHEMBL13430768 0.90 SIRT2 (0.64) MAPTKLK7KLK5CA1CA2
SCHEMBL30043940 0.90 SIRT2 (0.64) MAPTKLK7KLK5CA1CA2
SCHEMBL2329138 0.90 KLK7 (0.67) MAPTKLK7KLK5CA1CA2
SCHEMBL2329143 0.90 KLK7 (0.67) MAPTKLK7KLK5CA1CA2
SCHEMBL22355258 0.90 MAPT (0.54) MAPTABCB1KLK7KLK5CA1
SCHEMBL9706024 0.88 KLK7 (0.60) MAPTKLK7KLK5CA1CA2
SCHEMBL15253875 0.88 KLK7 (0.60) MAPTKLK7KLK5CA1CA2
SCHEMBL3498752 0.87 MAPT (0.56) MAPTABCB1KLK7KLK5CA1

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-6015887-A PREPARING SYNTHETIC MONOMERS BY DEHYDRATIVE COUPLING OF AMINE AND ALCOHOL STARTING REAGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-01-18 US disclosed