SCHEMBL19559736

SCHEMBL19559736

N[C@H](COc1ccc(CC2SC(=O)N(N)C2=O)cc1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 4/20 0.42
▸ PPARG P37231 4/20 0.39
▸ FFAR1 O14842 5/20 0.38
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAOB P27338 2/20 0.34

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
SCHEMBL19559756 0.89 PPARG (0.52) PPARGFFAR1ADRB2ADRB1ADRB3
SCHEMBL19217776 0.89 PPARG (0.52) PPARGFFAR1ADRB2ADRB1ADRB3
SCHEMBL19559778 0.88 PPARG (0.38) PPARGFFAR1ADRB2ADRB1ADRB3
SCHEMBL19559725 0.84 PPARG (0.40) PPARGFFAR1ADRB2ADRB1ADRB3
SCHEMBL12628139 0.81 PPARG (0.61) PPARGFFAR1
SCHEMBL19559724 0.81 GLA (0.42) PPARGFFAR1MCL1GLASMN1; SMN2
SCHEMBL19217722 0.78 PPARG (0.37) PPARGFFAR1ADRB2ADRB1ADRB3
SCHEMBL19559726 0.78 PPARG (0.49) PPARGFFAR1MCL1
SCHEMBL19559692 0.77 FFAR1 (0.41) PPARGFFAR1MCL1
SCHEMBL19559754 0.77 FFAR1 (0.41) PPARGFFAR1MCL1

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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