SCHEMBL11431737

SCHEMBL11431737

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ FOLH1 Q04609 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ YARS1 P54577 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL9567734 1.00 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9327248 1.00 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL14288987 0.90 MAPT (0.44) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8597022 0.90 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL7828421 0.90 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL3731768 0.89 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL3731770 0.89 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL28435235 0.89 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL27461765 0.89 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8113253 0.89 MAPT (0.43) 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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