SCHEMBL6473029

SCHEMBL6473029

O=C(O)COc1ccc2cc(C(=O)NCCc3cccc(-c4ccc(CC5SC(=O)NC5=O)cc4)c3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.55
PPARG P37231 7/20 0.49
MPC2 O95563 2/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2C9 P11712 2/20 0.47
PPARA Q07869 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6473379 0.94 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6477731 0.92 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6477698 0.85 FFAR1 (0.57) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6526188 0.84 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6185086 0.83 FFAR1 (0.55) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6473032 0.82 FFAR1 (0.55) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5399583 0.80 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL7565841 0.80 FFAR1 (0.52) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL7089664 0.80 FFAR1 (0.52) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL7090957 0.79 FFAR1 (0.49) FFAR1PPARGMPC2CYP2C8CYP2C9

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-6908939-B2 Biaromatic ligand activators of PPARγ receptors GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2005-06-21 US claimed