SCHEMBL9870862

SCHEMBL9870862

CCC=C1C(C)=C(C)C(=O)N1c1cc(OCCOCCOCC)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 12/20 0.43
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.30

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 0.89 PPOX (0.48) PPOXGAAPKMLMNAPOLB
SCHEMBL9870691 0.84 PPOX (0.50) PPOX
SCHEMBL9871353 0.84 PPOX (0.45) PPOXGAAPKMLMNAPOLB
SCHEMBL9870791 0.82 PPOX (0.46) PPOXGAAPKMLMNAPOLB
SCHEMBL9756624 0.81 PPOX (0.46) PPOXPOLBL3MBTL1
SCHEMBL9756611 0.80 POLB (0.46) PPOXLMNAPOLBL3MBTL1
SCHEMBL9870465 0.78 PPOX (0.52) PPOX
SCHEMBL9687131 0.77 PPOX (0.57) PPOX
SCHEMBL9874227 0.76 PPOX (0.41) PPOXPOLBL3MBTL1
SCHEMBL9685861 0.76 L3MBTL1 (0.36) PPOXGAALMNAPOLBL3MBTL1

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-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed