SCHEMBL17255685

SCHEMBL17255685

Cc1cc(C)n(-c2ccc(O)cc2O)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
GAA P10253 3/20 0.70
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ADORA2A P29274 2/20 0.40
EGFR P00533 1/20 0.38

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
SCHEMBL16911620 0.86 KDM4E (0.59) KDM4EGAATSHRMAPTHTT
SCHEMBL17545844 0.86 KDM4E (0.70) KDM4EGAATSHRMAPTHTT
SCHEMBL15443102 0.86 KDM4E (0.70) KDM4EGAATSHRMAPTHTT
SCHEMBL17255695 0.83 KDM4E (0.66) KDM4EGAATSHRMAPTHTT
SCHEMBL17255677 0.83 KDM4E (0.66) KDM4EGAATSHRMAPTHTT
SCHEMBL15442541 0.83 KDM4E (0.66) KDM4EGAATSHRMAPTHTT
SCHEMBL16911019 0.83 KDM4E (0.56) KDM4EGAATSHRMAPTHTT
SCHEMBL27920214 0.83 KDM4E (0.66) KDM4EGAATSHRMAPTHTT
SCHEMBL27920192 0.80 KDM4E (0.62) KDM4EGAATSHRMAPTHTT
SCHEMBL27938660 0.80 KDM4E (0.62) KDM4EGAATSHRMAPTHTT

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
EP-2669274-B1 TOPICAL ANTIFUNGAL AGENT MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-18 EP claimed