SCHEMBL29423893

SCHEMBL29423893

CCOC(=O)C1C2Cc3cc(OCc4cccc(B5OC(C)(C)C(C)(C)O5)c4)ccc3C21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TDP2 O95551 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL29423919 1.00 FFAR1 (0.41) FFAR1LPLLIPGPPARGPPARD
SCHEMBL16846002 1.00 FFAR1 (0.41) FFAR1LPLLIPGPPARGPPARD
SCHEMBL18940305 0.89 FFAR1 (0.44) FFAR1LPLLIPGTDP2POLB
SCHEMBL18940280 0.89 FFAR1 (0.44) FFAR1LPLLIPGTDP2POLB
SCHEMBL15471370 0.88 FFAR1 (0.48) FFAR1LPLLIPGTDP2POLB
SCHEMBL18346431 0.88 FFAR1 (0.48) FFAR1LPLLIPGTDP2POLB
SCHEMBL15471521 0.88 FFAR1 (0.48) FFAR1LPLLIPGTDP2POLB
SCHEMBL16845952 0.86 FFAR1 (0.38) FFAR1
SCHEMBL29423898 0.86 FFAR1 (0.38) FFAR1
SCHEMBL29423910 0.86 FFAR1 (0.38) FFAR1

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-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed