SCHEMBL11068099

SCHEMBL11068099

ClCC(OCC1CC2C=CC1C2)OCC1CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL416851 0.82 KDM4E (0.44) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL18719772 0.78 KDM4E (0.39) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL4937724 0.78 KDM4E (0.42) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL415908 0.75 KDM4E (0.37) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL415514 0.74 KDM4E (0.44) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL5360041 0.74 KDM4E (0.39) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL15467439 0.74 KDM4E (0.36) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL5356106 0.72 KDM4E (0.41) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL912081 0.72
SCHEMBL24183422 0.71 KDM4E (0.42) KDM4EALDH1A1MEN1HTTKMT2A

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-4427817-A Open-chain acetals or ketals as non-discoloring antiozonants for rubber BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US disclosed
EP-0062809-A1 Use of non-cyclic acetals or ketals as non-discolouring antiozonants BAYER AG (DE) 1982-10-20 EP disclosed