SCHEMBL9805046

SCHEMBL9805046

COc1cc(N2C(=O)C3=C(CC(C)CC3)C2=O)c(F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.57
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9804968 0.88 PPOX (0.53) PPOX
SCHEMBL9804880 0.88 PPOX (0.53) PPOX
SCHEMBL8759918 0.87 PPOX (0.48) PPOX
SCHEMBL9804778 0.85 PPOX (0.48) PPOX
SCHEMBL9805127 0.85 PPOX (0.41) PPOX
SCHEMBL8759744 0.85 PPOX (0.41) PPOX
SCHEMBL10699614 0.85 PPOX (0.52) PPOXALDH1A1PKMMAPK1LMNA
SCHEMBL10703380 0.84 PPOX (0.40) PPOX
SCHEMBL10717840 0.84 PPOX (0.65) PPOXALDH1A1HSP90AA1MAPTPKM
SCHEMBL9804844 0.83 PPOX (0.37) PPOXSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990176-A Selective, tolerated by cultivated plants CIBA-GEIGY CORPORATION (US) 1991-02-05 US disclosed
EP-0288960-A1 Alkyl-N-aryl-tetrahydrophthalimides, process for their manufacture and their use in protecting plants HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed