SCHEMBL9401284

SCHEMBL9401284

COc1cc(OC)nc(SC(CO)C(C)(C)c2cc(C)ccc2C)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 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
SCHEMBL9401469 0.87 CTSA (0.35) ALDH1A1EDNRBEDNRAPTGESALOX5
SCHEMBL9401350 0.84 EDNRB (0.41) ALDH1A1EDNRBEDNRAPTGESALOX5
SCHEMBL9401433 0.81 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9401601 0.79 EDNRB (0.44) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401625 0.79 NPSR1 (0.34) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9572232 0.79 EDNRB (0.35) ALDH1A1EDNRBEDNRAPTGESALOX5
SCHEMBL9401429 0.78 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401481 0.78 CASR (0.35) ALDH1A1EDNRBEDNRAL3MBTL1
SCHEMBL9401444 0.78 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL9401292 0.78 EDNRB (0.41) EDNRBEDNRA

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 1 patent. 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