SCHEMBL17255696

SCHEMBL17255696

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.50
EGFR P00533 1/20 0.50
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NTSR1 P30989 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
XIAP P98170 1/20 0.41
TP53 P04637 1/20 0.40
TRPA1 O75762 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL17255679 0.86 KDM4E (0.62) KDM4EGAATSHREGFRMAPT
SCHEMBL17255687 0.83 KDM4E (0.62) KDM4EGAATSHREGFRMAPT
SCHEMBL2052349 0.79 KDM4E (0.67) KDM4EGAATSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL4340036 0.78 KDM4E (0.50) KDM4EGAATSHREGFRMAPT
Hydrochloric Acid SCHEMBL4340038 0.78 KDM4E (0.50) KDM4EGAATSHREGFRMAPT
Phenol SCHEMBL4337822 0.76 KDM4E (0.58) KDM4EGAATSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL4336653 0.76 KDM4E (0.64) KDM4EGAATSHREGFRMAPT
Hydrochloric Acid SCHEMBL4336655 0.76 KDM4E (0.64) KDM4EGAATSHREGFRMAPT
SCHEMBL15442244 0.74 KDM4E (0.85) KDM4EGAATSHREGFRMAPT
SCHEMBL16911620 0.74 KDM4E (0.59) KDM4EGAATSHREGFRMAPT

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 disclosed