SCHEMBL19217845

SCHEMBL19217845

O=C1NC(=O)[C@H](Cc2ccc(OCCc3cccc(Cl)c3)cc2)S1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.61
PPARA Q07869 2/20 0.61
PPARG P37231 10/20 0.58
CYP3A4 P08684 1/20 0.55
RXRA P19793 1/20 0.55
MPC2 O95563 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL6930674 1.00 FFAR1 (0.61) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6381220 0.87 FFAR1 (0.65) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL19217676 0.86 FFAR1 (0.61) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL12515224 0.86 FFAR1 (0.69) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6931105 0.85 PPARG (0.70) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6379645 0.84 PPARG (0.55) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL9564659 0.84 FFAR1 (0.62) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL12515223 0.84 FFAR1 (0.66) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL21504774 0.82 FFAR1 (0.59) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL8003801 0.82 FFAR1 (0.56) FFAR1PPARAPPARGCYP3A4RXRA

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