SCHEMBL9401423

SCHEMBL9401423

COc1cc(OC)nc(SC(CO)C(C)(C)c2ccc(Br)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.32
PTGES O14684 1/20 0.32
PPARG P37231 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EDNRB P24530 4/20 0.31
EDNRA P25101 4/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9401350 0.89 EDNRB (0.41) ALOX5PTGESPPARGEDNRBEDNRA
SCHEMBL9401461 0.88 EDNRB (0.42) ALOX5PTGESPPARGEDNRBEDNRA
SCHEMBL9572233 0.88 PTGES (0.40) ALOX5PTGESPPARGEDNRBEDNRA
SCHEMBL9401653 0.88 EDNRB (0.42) L3MBTL1EDNRBEDNRAALDH1A1
SCHEMBL9401292 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401459 0.87 NPC1 (0.34) EDNRBEDNRAALDH1A1
SCHEMBL9401569 0.83 EDNRB (0.34) ALOX5PTGESPPARGEDNRBEDNRA
SCHEMBL9401378 0.83 EDNRB (0.34) L3MBTL1EDNRBEDNRA
SCHEMBL9401408 0.83 EDNRB (0.36) EDNRBEDNRA
SCHEMBL9572231 0.82 PTGES (0.41) ALOX5PTGESALDH1A1

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