SCHEMBL9401328

SCHEMBL9401328

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 8/20 0.33
PPARG P37231 5/20 0.33
PTGES O14684 4/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL9401233 0.89 ALDH1A1 (0.34) ALDH1A1ALOX5PPARGPTGESADORA3
SCHEMBL9401241 0.87 ALDH1A1 (0.33) ALDH1A1ALOX5PPARGPTGESADORA3
SCHEMBL9401222 0.87 AR (0.36) ALDH1A1ALOX5PPARGPTGESADORA3
SCHEMBL9401251 0.87 ALDH1A1 (0.38) ALDH1A1ALOX5PPARGPTGESADORA3
SCHEMBL9401415 0.87 ALOX5 (0.38) ALOX5PPARGPTGESADORA3PTGS2
SCHEMBL9401536 0.85 ALOX5 (0.37) ALOX5PPARGPTGESADORA3PTGS2
SCHEMBL9387574 0.85 LMNA (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL9401477 0.81 EDNRB (0.40) ALOX5PPARGPTGES
SCHEMBL9401225 0.80 ALOX5 (0.45) ALOX5PPARGPTGESPSEN1
SCHEMBL9401495 0.79 EDNRB (0.41) ALOX5PPARGPTGES

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