SCHEMBL7299495

SCHEMBL7299495

O=C(O)[C@H](Cc1ccccc1)OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.57
PPARG P37231 17/20 0.50
PPARA Q07869 15/20 0.50
ACE P12821 1/20 0.49

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
SCHEMBL7299501 1.00 SRR (0.57) SRRPPARGPPARAACE
SCHEMBL24328378 0.93 SRR (0.61) SRRPPARGPPARAACE
SCHEMBL6590735 0.88 PPARG (0.66) PPARGPPARA
SCHEMBL3430510 0.87 SRR (0.50) SRRPPARGPPARA
Hydrochloric Acid SCHEMBL7302958 0.84 SRR (0.54) SRRPPARGPPARAACE
SCHEMBL27653539 0.83 PPARG (0.67) SRRPPARGPPARA
SCHEMBL24328381 0.82 SLC7A5 (0.49) SRRPPARGPPARA
SCHEMBL13311342 0.81 SRR (0.48) SRRPPARGPPARA
SCHEMBL6487486 0.81 SRR (0.48) SRRPPARGPPARA
SCHEMBL24328380 0.81 PPARG (0.57) SRRPPARGPPARA

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
EP-0341481-A1 N-heterocyclic alcohol derivatives E.R. Squibb & Sons, Inc. (US) 1989-11-15 EP disclosed