SCHEMBL9664328

SCHEMBL9664328

Cc1ccc(OCC(C)Oc2cc(N3C(=O)C4CCCCN4C3=O)c(F)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPOX P50336 6/20 0.45
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AR P10275 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9662954 0.94 PPOX (0.44) PPOXAR
SCHEMBL10939313 0.83 PPOX (0.54) PPOXARPOLB
SCHEMBL9664148 0.80 PPOX (0.45) PPOXALDH1A1KDM4EHPGDAR
SCHEMBL9665580 0.80 PPOX (0.43) PPOXMEN1KMT2AAR
SCHEMBL9663293 0.79 PPOX (0.44) PPOXARPOLB
SCHEMBL9663499 0.79 PPOX (0.44) PPOXKDM4EMEN1KMT2A
SCHEMBL9664271 0.78 HTR1A (0.46) PPOXMEN1KMT2AAR
SCHEMBL10613566 0.78 PPOX (0.65) PPOXALDH1A1KMT2AARPOLB
SCHEMBL10938117 0.78 PPOX (0.51) PPOXARSMN1; SMN2
SCHEMBL9664424 0.77 PPOX (0.40) PPOXALDH1A1KDM4EHPGDALOX12

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