SCHEMBL8926476

SCHEMBL8926476

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAAR1 Q96RJ0 3/20 0.39
CALM1 P0DP23 2/20 0.38
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
TDP1 Q9NUW8 1/20 0.37
GALR3 O60755 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL8927137 0.85 MEN1 (0.52) CYP26A1MEN1KMT2ATAAR1CALM1
SCHEMBL28123545 0.69 TAAR1 (0.57) TAAR1CALM1CYP3A4SLC6A2SLC6A4
SCHEMBL2485767 0.69 TAAR1 (0.57) TAAR1CALM1CYP3A4SLC6A2SLC6A4
SCHEMBL29664514 0.69 TAAR1 (0.57) TAAR1CALM1CYP3A4SLC6A2SLC6A4
SCHEMBL8927145 0.69 ALDH1A1 (0.65) TAAR1CALM1CYP3A4ALDH1A1GALR3
SCHEMBL9304867 0.68 CYP26A1 (0.47) CYP26A1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8294114 0.66 TAAR1 (0.61) TAAR1CALM1CYP3A4ALDH1A1MAPT
SCHEMBL19500865 0.66 KDM4E (0.61) MEN1KMT2ATAAR1CYP3A4KCNH2
SCHEMBL11390807 0.64 TAAR1 (0.50) TAAR1CALM1CYP3A4SLC6A2SLC6A4
SCHEMBL987525 0.64 TAAR1 (0.71) TAAR1CALM1CYP3A4ALDH1A1KDM4E

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