SCHEMBL6811544

SCHEMBL6811544

[CH]1C/C=C\CCCC2C=CCCC2C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2312051 0.84 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL594354 0.84 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL6058815 0.82 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL5336310 0.78
SCHEMBL11825898 0.76 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL3095106 0.75 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL1524602 0.73
SCHEMBL6058616 0.71 ALDH1A1 (0.31) KDM4EALDH1A1
SCHEMBL3278054 0.71 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL2964675 0.71 ALDH1A1 (0.32) ALDH1A1

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-1439885-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-07-28 EP disclosed
WO-2003024529-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-03-27 WO disclosed