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Sugi Predict / Compounds / SCHEMBL6204993

SCHEMBL6204993

SCHEMBL6204993

NC(=O)N1CCCCC(C2CC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL6205359 0.96 HTT (0.36) HTTALDH1A1GAAHPGDTP53
SCHEMBL6205391 0.95 HTT (0.36) HTTALDH1A1GAAHPGDTP53
SCHEMBL6205057 0.95 ALDH1A1 (0.37) HTTALDH1A1GAAHPGDTP53
SCHEMBL1114602 0.78 CYP3A4 (0.44) HTTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6204538 0.72 NOS3 (0.39) HTTALDH1A1SMN1; SMN2
SCHEMBL23907338 0.71 NAAA (0.37) HTTALDH1A1SMN1; SMN2
SCHEMBL5638919 0.71 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL6045399 0.70 HSD17B10 (0.33) HTTALDH1A1
SCHEMBL6045233 0.70 HSD17B10 (0.33) HTTALDH1A1
SCHEMBL4703842 0.70 HSD17B10 (0.36) ALDH1A1GAA

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-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 — — EP claimed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 — — WO claimed