Sugi Predict

Sugi Predict / Compounds / SCHEMBL7003231

SCHEMBL7003231

SCHEMBL7003231

CCCCOc1c2cc(OC)c(OC)c(=O)c-2cn(CC(C)(C)C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 5/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTAFR P25105 3/20 0.33

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
SCHEMBL7004077 0.89 SLC6A5 (0.38) SLC6A5KDM4EALDH1A1
SCHEMBL7007505 0.85 SLC6A5 (0.37) SLC6A5CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7555530 0.76 MCL1 (0.38) CNR2
SCHEMBL7002285 0.75 MCL1 (0.38) CNR2
SCHEMBL7564220 0.75 MAPT (0.38) KDM4EALDH1A1
SCHEMBL7005350 0.75 SLC6A5 (0.38) SLC6A5KDM4EALDH1A1SMN1; SMN2
SCHEMBL7006166 0.73 ESR1 (0.38) CNR2ALDH1A1SMN1; SMN2
SCHEMBL7554918 0.72 SLC6A5 (0.39) SLC6A5CNR2
SCHEMBL7555960 0.71 TDP1 (0.38) CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5237418 0.70 CNR2 (0.40) SLC6A5CNR2KDM4EALDH1A1

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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 — — EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 — — WO disclosed