SCHEMBL8927137

SCHEMBL8927137

CC(C)(C)C(O)C(CCc1ccc2c(c1)OCO2)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
CYP26A1 O43174 1/20 0.43
CALM1 P0DP23 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GALR3 O60755 1/20 0.37
RAB9A P51151 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL8926476 0.85 CYP26A1 (0.43) MEN1KMT2ATDP1CYP26A1CALM1
SCHEMBL12418541 0.79 KMT2A (0.60) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL12418543 0.78 MEN1 (0.58) MEN1KMT2ATDP1CYP26A1CYP3A4
SCHEMBL12394779 0.73 MEN1 (0.76) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL12418677 0.72 MEN1 (0.74) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL1964298 0.72 MEN1 (0.57) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL12418678 0.71 MEN1 (0.56) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL13447835 0.71 MEN1 (0.56) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL3129338 0.71 KMT2A (0.50) MEN1KMT2ATDP1TAAR1MAPT
SCHEMBL12415429 0.71 KMT2A (0.57) MEN1KMT2ATDP1CYP3A4MAPT

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-5691363-A CONTROLLING PHYTOPATHOGENIC FUNGI; APPLYING TO PLANT BEFORE PLANTING UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-11-25 US disclosed