SCHEMBL6816306

SCHEMBL6816306

CCOC(=O)C[C@@H]1CCc2cc(OCCc3c(-c4ccccc4)n[nH]c3C(F)(F)F)c(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.43
PPARG P37231 13/20 0.39
PPARD Q03181 3/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37

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
SCHEMBL6817082 0.82 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL6919905 0.77 PPARD (0.59) PPARAPPARGPPARD
SCHEMBL6816310 0.77 PPARA (0.43) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL3961926 0.74 HTR2A (0.52) PPARAPPARD
SCHEMBL6816298 0.73 PPARA (0.37) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL3970689 0.73 HSD17B1 (0.37) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL3964872 0.68 THRA (0.38) PPARAPPARD
SCHEMBL3965573 0.67 POLB (0.41) PPARDCYP11B1CYP11B2
SCHEMBL19984873 0.66 CYP11B1 (0.55) PPARAPPARDCYP11B1CYP11B2
SCHEMBL3964420 0.66 HSD17B1 (0.44) PPARAPPARDCYP11B1CYP11B2

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
WO-2004011446-A1 INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2004-02-05 WO disclosed