SCHEMBL9401352

SCHEMBL9401352

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.38
PPARG P37231 9/20 0.38
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.34
PTGES O14684 7/20 0.34
ALDH1A1 P00352 1/20 0.33
PSEN1 P49768 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9401340 0.92 ALOX5 (0.44) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401240 0.91 ALOX5 (0.40) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9403903 0.90 ALOX5 (0.40) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401392 0.90 ALOX5 (0.40) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9388328 0.89 ALDH1A1 (0.35) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401226 0.83 ALDH1A1 (0.33) ALOX5PPARGADORA3ALDH1A1LMNA
SCHEMBL9383520 0.82 LMNA (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL9388882 0.81 ADORA3 (0.37) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401394 0.81 ALDH1A1 (0.35) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401371 0.76 ALOX5 (0.38) ALOX5PPARGADORA3ADORA1PTGES

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