SCHEMBL19559652

SCHEMBL19559652

NN1C(=O)SC(Cc2ccc(OCCc3ccccc3Cl)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ FFAR1 O14842 8/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL19559710 0.85 NPC1 (0.47) PPARGMAOBFFAR1KDM4EMAPT
SCHEMBL19559802 0.85 PPARG (0.41) PPARGFFAR1CYP3A4RXRAKDM4E
SCHEMBL19559724 0.82 GLA (0.42) PPARGMAOBFFAR1MCL1SIRT2
SCHEMBL19559801 0.81 PPARG (0.46) PPARGMAOBCYP3A4RXRAMAPT
SCHEMBL19559762 0.80 PPARG (0.45) PPARGKCNH2FFAR1CYP3A4RXRA
SCHEMBL6931578 0.79 FFAR1 (0.59) PPARGFFAR1CYP3A4RXRAMAPT
SCHEMBL19217777 0.78 PPARG (0.40) PPARGFFAR1MCL1KDM4EMAPT
SCHEMBL19559666 0.77 PPARG (0.46) PPARGMAOBFFAR1MAPT
SCHEMBL18323953 0.74 PPARG (0.66) PPARGCYP3A4RXRAHRH3
SCHEMBL19559657 0.73 PPARG (0.64) PPARGMCL1KDM4EMAPT

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-2513070-B1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES CIRIUS THERAPEUTICS INC (US) 2017-11-08 — — EP disclosed
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