SCHEMBL9717751

SCHEMBL9717751

CCCCCCCC(CCCC)c1ccc(NC(=S)c2c(OC)cccc2OC)nn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
PLK1 P53350 1/20 0.35
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ELANE P08246 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
HTR1A P08908 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL9712887 0.87 ALDH1A1 (0.44) PPARAPLK1ALDH1A1KDM4EHSD17B10
SCHEMBL9713211 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL9712658 0.75 KDM4E (0.49) ALDH1A1KDM4EHSD17B10
SCHEMBL9712628 0.74 CYP1A2 (0.37) PPARAPLK1ALOX5PTGS2ALDH1A1
SCHEMBL9713049 0.71 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9712760 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL9713714 0.65 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9712919 0.65 CNR2 (0.42) PPARAPLK1KDM4ETSHRSOAT1
SCHEMBL9712792 0.65 KDM4E (0.43) PPARAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9713046 0.65 CYP1A2 (0.41) PPARAPLK1ALOX5PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed