SCHEMBL10770220

SCHEMBL10770220

CCN1CCN(C(=O)NC(C(N)=O)c2ccc(O)c(O)c2)C(=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ HSD17B10 Q99714 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ YARS1 P54577 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ THPO P40225 2/20 0.32
▸ BLM P54132 2/20 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
SCHEMBL10817167 0.90 TDP1 (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10490774 0.90 YARS1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
Water SCHEMBL10490800 0.89 YARS1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10404206 0.89 MAPT (0.36) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL3731770 0.87 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10372875 0.84 GPR88 (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10872366 0.83 KMT2A (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11131885 0.83 MAPT (0.38) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10643650 0.82 MAPT (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8622217 0.82 POLB (0.35) 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
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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