SCHEMBL7903410

SCHEMBL7903410

CC1=C(CC(N)=O)c2cc(OCCCC(=O)O)ccc2/C1=C\c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.54
RXRA P19793 2/20 0.54
PLA2G2A P14555 5/20 0.46
SERPINE1 P05121 1/20 0.46
PPARA Q07869 1/20 0.44

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
SCHEMBL8741430 0.91 RXRA (0.53) PPARGRXRAPLA2G2A
SCHEMBL7913521 0.91 RXRA (0.53) PPARGRXRAPLA2G2A
SCHEMBL8741429 0.91 RXRA (0.53) PPARGRXRAPLA2G2A
SCHEMBL7104435 0.85 PPARG (0.60) PPARGRXRA
SCHEMBL8150041 0.78 PPARG (0.72) PPARGRXRA
SCHEMBL8150043 0.78 PPARG (0.72) PPARGRXRA
SCHEMBL7147839 0.78 PPARG (0.72) PPARGRXRA
SCHEMBL8151007 0.73 PPARG (0.60) PPARGRXRA
SCHEMBL8151005 0.73 PPARG (0.60) PPARGRXRA
SCHEMBL8150999 0.73 PPARG (0.60) PPARGRXRA

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-6214876-B1 PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY 2001-04-10 US disclosed