SCHEMBL19559724

SCHEMBL19559724

NN1C(=O)SC(Cc2ccc(OCCc3cccc(Cl)c3)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAOB P27338 5/20 0.41
▸ FFAR1 O14842 7/20 0.40
▸ PPARG P37231 3/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ PPARD Q03181 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
SCHEMBL19559710 0.87 NPC1 (0.47) MAOBFFAR1PPARGLTA4H
SCHEMBL19559666 0.86 PPARG (0.46) MAOBFFAR1PPARGLTA4H
SCHEMBL19559801 0.82 PPARG (0.46) GLAMAOBPPARG
SCHEMBL19559652 0.82 PPARG (0.40) MAOBFFAR1PPARGSIRT2MCL1
SCHEMBL19559762 0.81 PPARG (0.45) FFAR1PPARGPPARAPPARD
SCHEMBL19559778 0.81 PPARG (0.38) GLASMN1; SMN2MAOBFFAR1PPARG
SCHEMBL19559736 0.81 SCN4A (0.42) GLASMN1; SMN2MAOBFFAR1PPARG
SCHEMBL19559756 0.80 PPARG (0.52) GLAFFAR1PPARG
SCHEMBL19217776 0.80 PPARG (0.52) GLAFFAR1PPARG
SCHEMBL6930674 0.79 FFAR1 (0.61) FFAR1PPARGPPARA

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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