SCHEMBL19217604

SCHEMBL19217604

COc1ccc(CCOc2ccc(CC3SC(O)NC3=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
PPARG P37231 8/20 0.43
CYP3A4 P08684 1/20 0.43
RXRA P19793 1/20 0.43
MPC2 O95563 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
PPARA Q07869 4/20 0.41
PPARD Q03181 1/20 0.41
DAO P14920 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL21504707 0.88 FFAR1 (0.44) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL24050797 0.84 PPARG (0.57) PPARGMPC2CYP2C8CYP2C9RAB9A
SCHEMBL21504810 0.83 PPARG (0.56) FFAR1PPARGCYP3A4MPC2CYP2C8
SCHEMBL21504808 0.83 PPARG (0.56) FFAR1PPARGCYP3A4MPC2CYP2C8
SCHEMBL19217598 0.81 MAOB (0.41) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL6931816 0.80 FFAR1 (0.66) FFAR1PPARGCYP3A4RXRAMPC2
SCHEMBL19217637 0.80 PPARG (0.70) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL21504803 0.78 PPARG (0.71) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19491786 0.77 PPARG (0.63) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL20158318 0.77 PPARG (0.72) FFAR1PPARGCYP3A4RXRAMPC2

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-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 EP disclosed