SCHEMBL7845343

SCHEMBL7845343

COC(Cc1ccc(OCCn2c3ccccc3c3cc(Br)ccc32)cc1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.83
PPARA Q07869 15/20 0.83
PPARD Q03181 8/20 0.67
TSPO P30536 2/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL7535774 1.00 PPARG (0.83) PPARGPPARAPPARDTSPOPTPN1
SCHEMBL7534219 0.95 PPARA (0.81) PPARGPPARAPPARD
SCHEMBL7531212 0.91 PPARG (0.80) PPARGPPARAPPARDPTPN1
SCHEMBL7853921 0.91 PPARG (0.80) PPARGPPARAPPARDPTPN1
SCHEMBL7528811 0.91 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7856304 0.91 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7855600 0.89 PPARA (0.83) PPARGPPARAPPARDTSPOPTPN1
SCHEMBL7528924 0.89 PPARA (0.83) PPARGPPARAPPARDTSPOPTPN1
SCHEMBL7533444 0.89 PPARG (0.67) PPARGPPARAPPARDTSPO
SCHEMBL7534082 0.86 PPARG (0.72) PPARGPPARAPPARD

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
EP-1123279-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP claimed
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO claimed