SCHEMBL11423312

SCHEMBL11423312

CCN1CCN(C(=O)N[C@H](C(=O)O)c2ccc(OC(C)=O)cc2)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GLA P06280 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ ELANE P08246 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
SCHEMBL11423317 1.00 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10490784 0.90 MAPT (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10401867 0.86 TSHR (0.34) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9567734 0.85 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9327248 0.85 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11431737 0.85 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8597022 0.85 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL7828421 0.85 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493405 0.84 ATM (0.44) MAPTPDE3ASLC22A6SLC22A8SLC22A11
Water SCHEMBL8600954 0.84 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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-4211779-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-07-08 — — US disclosed
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