Sugi Predict

Sugi Predict / Compounds / SCHEMBL2706398

SCHEMBL2706398

SCHEMBL2706398

CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)[C@@H](C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.53
▸ KLK5 Q9Y337 3/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MBOAT4 Q96T53 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL209231 1.00 SYK (0.53) SYKKLK5KLK7TSHRMAPT
SCHEMBL1504055 1.00 SYK (0.53) SYKKLK5KLK7TSHRMAPT
SCHEMBL27805991 0.92 SYK (0.52) SYKKLK5KLK7MAPTPPARA
SCHEMBL27805989 0.92 SYK (0.52) SYKKLK5KLK7MAPTPPARA
SCHEMBL4364181 0.89 SYK (0.54) SYKKLK5KLK7MAPTPPARA
SCHEMBL207511 0.86 SYK (0.55) SYKKLK5KLK7TSHRMAPT
SCHEMBL209116 0.86 SYK (0.55) SYKKLK5KLK7TSHRMAPT
SCHEMBL13473773 0.81 SYK (0.49) SYKKLK5KLK7TSHRMAPT
SCHEMBL25491606 0.79 KLK7 (0.59) SYKKLK5KLK7TSHRPPARA
SCHEMBL5419241 0.79 KLK7 (0.59) SYKKLK5KLK7TSHRPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 — — US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 — — US disclosed