SCHEMBL17255679

SCHEMBL17255679

Cc1cc(C)n(-c2cccc(O)c2O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.45
EGFR P00533 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
ADORA2A P29274 1/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
XBP1 P17861 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL17255696 0.86 KDM4E (0.58) KDM4EGAATSHRMAPTEGFR
SCHEMBL2052349 0.86 KDM4E (0.67) KDM4EGAATSHRMAPTCA12
SCHEMBL17255687 0.83 KDM4E (0.62) KDM4EGAATSHRMAPTEGFR
SCHEMBL17255714 0.80 KDM4E (0.58) KDM4EGAATSHRMAPTSMN1; SMN2
Bicarbonate SCHEMBL17255684 0.80 KDM4E (0.59) KDM4EGAATSHRMAPTCA12
Phenol SCHEMBL4337822 0.76 KDM4E (0.58) KDM4EGAATSHRMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4336653 0.76 KDM4E (0.64) KDM4EGAATSHRMAPTEGFR
Hydrochloric Acid SCHEMBL4336655 0.76 KDM4E (0.64) KDM4EGAATSHRMAPTEGFR
SCHEMBL17255683 0.75 KDM4E (0.66) KDM4EGAATSHRMAPTCA12
SCHEMBL15442244 0.74 KDM4E (0.85) KDM4EGAATSHRMAPTEGFR

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