SCHEMBL9756624

SCHEMBL9756624

CCCCOCCOCCOc1cc(N2C(=O)C(C)=C(C)C2=O)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 9/20 0.46
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9756619 0.91 PPOX (0.48) PPOXL3MBTL1POLB
SCHEMBL9756611 0.88 POLB (0.46) PPOXL3MBTL1POLBALDH1A1
SCHEMBL9756629 0.87 PPOX (0.58) PPOX
SCHEMBL9874227 0.84 PPOX (0.41) PPOXL3MBTL1POLB
SCHEMBL9871353 0.83 PPOX (0.45) PPOXL3MBTL1POLB
SCHEMBL9870791 0.81 PPOX (0.46) PPOXL3MBTL1POLB
SCHEMBL9870862 0.81 PPOX (0.43) PPOXL3MBTL1POLB
SCHEMBL9687131 0.77 PPOX (0.57) PPOX
SCHEMBL9444971 0.77 PPOX (0.62) PPOX
SCHEMBL9804778 0.76 PPOX (0.48) PPOX

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-5039334-A Herbicidal and plant growth-regulating substituted N-aryl nitrogen heterocycles BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 US claimed