SCHEMBL8943549

SCHEMBL8943549

COc1cc(OC)nc(SC(C(=O)O)C(C)(C#N)CCOC(=O)C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.35
EDNRA P25101 3/20 0.35
ALOX5 P09917 9/20 0.34
PPARG P37231 6/20 0.34
PTGES O14684 5/20 0.34
PTGS2 P35354 1/20 0.32
PSEN1 P49768 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
SCHEMBL8943529 0.78 EDNRB (0.37) EDNRBEDNRAALOX5PPARGPTGES
SCHEMBL8943555 0.78 ALDH1A1 (0.33)
SCHEMBL8943379 0.73 EDNRB (0.36) EDNRBEDNRAALOX5PPARGPTGES
SCHEMBL8943573 0.72 ALDH1A1 (0.38) EDNRBEDNRAALOX5PPARGPTGES
SCHEMBL9588704 0.72 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9408657 0.72 ALDH1A1 (0.36) ALOX5PPARG
SCHEMBL9408607 0.70 EDNRB (0.43) EDNRBEDNRAALOX5PPARGPTGES
SCHEMBL9051577 0.70 EDNRB (0.40) EDNRBEDNRA
SCHEMBL9148023 0.69 ALDH1A1 (0.32) ALOX5PPARGPTGES
SCHEMBL8943540 0.69 ALDH1A1 (0.33)

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-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed