SCHEMBL10404263

SCHEMBL10404263

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 5/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ SLC22A11 Q9NSA0 1/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ TDP1 Q9NUW8 6/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ GAA P10253 3/20 0.32
▸ ADRB2 P07550 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 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
SCHEMBL10404092 0.84 ALDH1A1 (0.37) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10404262 0.83 POLB (0.35) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10490774 0.82 YARS1 (0.42) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10817167 0.82 TDP1 (0.40) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10770220 0.81 MAPT (0.36) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL8622217 0.81 POLB (0.35) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10404206 0.81 MAPT (0.36) POLBMAPTPDE3ASLC22A6SLC22A8
Water SCHEMBL10490800 0.81 YARS1 (0.42) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11131885 0.78 MAPT (0.38) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL12318187 0.73 MAPT (0.40) POLBMAPTPDE3ASLC22A6SLC22A8

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
Send feedback