SCHEMBL9401394

SCHEMBL9401394

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ALOX5 P09917 3/20 0.34
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL9388328 0.87 ALDH1A1 (0.35) ALDH1A1ADORA3ALOX5PPARGPTGES
SCHEMBL9383520 0.83 LMNA (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL9383531 0.81 ALDH1A1 (0.37) ALDH1A1ADORA3ALOX5PPARGPTGES
SCHEMBL9401352 0.81 ALOX5 (0.38) ALDH1A1ADORA3ALOX5PPARGPTGES
SCHEMBL9401333 0.80 PTGES (0.40) ADORA3ALOX5PPARGPTGES
SCHEMBL9401340 0.79 ALOX5 (0.44) ADORA3ALOX5PPARGPTGESADORA1
SCHEMBL9401226 0.78 ALDH1A1 (0.33) ALDH1A1ADORA3ALOX5PPARGLMNA
SCHEMBL9401240 0.78 ALOX5 (0.40) ADORA3ALOX5PPARGPTGESADORA1
SCHEMBL9403903 0.77 ALOX5 (0.40) ADORA3ALOX5PPARGPTGESADORA1
SCHEMBL9401392 0.77 ALOX5 (0.40) ADORA3ALOX5PPARGPTGESADORA1

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