SCHEMBL6132616

SCHEMBL6132616

C#Cc1ccc(OCCCCCCCN2CC(C)OC(C)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 2/20 0.61
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.51
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 8/20 0.46

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
SCHEMBL6132613 1.00 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132643 1.00 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132642 1.00 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132459 0.84 KDM4E (0.64) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132589 0.84 KDM4E (0.64) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132461 0.84 KDM4E (0.64) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132590 0.84 KDM4E (0.64) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132555 0.81 KDM4E (0.57) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132808 0.81 KDM4E (0.57) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132558 0.81 KDM4E (0.57) KDM4ELMNAHTTTDP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed