SCHEMBL9664148

SCHEMBL9664148

Cc1ccc(OCCOc2cc(N3C(=O)C4CCCCN4C3=O)c(F)cc2Cl)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 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
SCHEMBL9663499 0.88 PPOX (0.44) PPOXKDM4E
SCHEMBL9663293 0.88 PPOX (0.44) PPOXPOLBARTHRB
SCHEMBL10938117 0.87 PPOX (0.51) PPOXSMN1; SMN2AR
SCHEMBL9665580 0.85 PPOX (0.43) PPOXAR
SCHEMBL9664271 0.85 HTR1A (0.46) PPOXAR
SCHEMBL9664424 0.82 PPOX (0.40) PPOXSMN1; SMN2KDM4EALDH1A1AR
SCHEMBL10613566 0.81 PPOX (0.65) PPOXSMN1; SMN2ALDH1A1POLBAR
SCHEMBL31028118 0.80 PPOX (0.45) PPOXAR
SCHEMBL9664328 0.80 PPOX (0.45) PPOXSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL10440441 0.79 PPOX (0.41) PPOXSMN1; SMN2AR

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-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US claimed