SCHEMBL9401495

SCHEMBL9401495

CCC(CC)(c1ccccc1)C(C=O)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.41
EDNRA P25101 9/20 0.41
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
PPARG P37231 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
SCHEMBL9401477 0.87 EDNRB (0.40) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9383894 0.84 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401251 0.80 ALDH1A1 (0.38) PTGESALOX5PPARG
SCHEMBL9401328 0.79 ALDH1A1 (0.34) PTGESALOX5PPARG
SCHEMBL9401233 0.79 ALDH1A1 (0.34) PTGESALOX5PPARG
SCHEMBL9401498 0.79 EDNRB (0.41) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401225 0.76 ALOX5 (0.45) PTGESALOX5PPARG
SCHEMBL9387574 0.76 LMNA (0.36)
SCHEMBL9401326 0.76 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401222 0.76 AR (0.36) PTGESALOX5PPARG

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-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed