SCHEMBL9401601

SCHEMBL9401601

COc1cc(OC)nc(SC(CO)C(C)(C)c2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.44
EDNRA P25101 5/20 0.44
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
RAB9A P51151 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
SCHEMBL9572232 0.88 EDNRB (0.35) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401429 0.87 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401469 0.87 CTSA (0.35) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401625 0.86 NPSR1 (0.34) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401292 0.83 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401569 0.81 EDNRB (0.34) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401461 0.81 EDNRB (0.42) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401427 0.80 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401284 0.79 ALDH1A1 (0.34) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401445 0.79 EDNRB (0.44) EDNRBEDNRANPC1CYP1A2RAB9A

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