SCHEMBL9738609

SCHEMBL9738609

CC1CC(C)(C)C(=O)C(C(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.36
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL997958 0.87 HPD (0.39) HPDKDM4EMEN1ALDH1A1MAPK1
SCHEMBL10392939 0.86 HPD (0.39) HPDKDM4EMEN1ALDH1A1MAPK1
SCHEMBL9300399 0.85 HPD (0.39) HPDKDM4EMEN1ALDH1A1MAPK1
SCHEMBL9738404 0.81 HPD (0.38) HPDKDM4EMEN1ALDH1A1MAPK1
SCHEMBL9739114 0.81 HPD (0.38) HPDKDM4EMEN1ALDH1A1MAPK1
SCHEMBL30177033 0.79 HPD (0.58) HPDMEN1KMT2A
SCHEMBL1860425 0.79 HPD (0.58) HPDMEN1KMT2A
SCHEMBL998546 0.79 HPD (0.39) HPDKDM4EMEN1ALDH1A1MAPK1
SCHEMBL9241318 0.74 KMT2A (0.47) MEN1ALDH1A1MAPK1KMT2A
SCHEMBL8191986 0.73 AKR1B1 (0.33) KMT2ARXRA

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-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US claimed