SCHEMBL9401319

SCHEMBL9401319

COc1cc(OC)nc(SC(C=O)C(C)(C)C2CCCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.35
PPARG P37231 3/20 0.35
PTGES O14684 2/20 0.35
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35
ALDH1A1 P00352 1/20 0.33
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL9401278 0.99 ALOX5 (0.34) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9572244 0.94 DDB1 (0.33) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9387574 0.80 LMNA (0.36) ALDH1A1
SCHEMBL9401388 0.79 HPGDS (0.33)
SCHEMBL9401332 0.78 ALOX5 (0.38) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401557 0.77 ALDH1A1 (0.34) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9384072 0.76 ALDH1A1 (0.36) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401492 0.76 ALOX5 (0.36) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401456 0.75 ALOX5 (0.33) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401328 0.75 ALDH1A1 (0.34) ALOX5PPARGPTGESPTGS2PSEN1

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