SCHEMBL19559725

SCHEMBL19559725

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.40
▸ MCL1 Q07820 1/20 0.38
▸ FFAR1 O14842 4/20 0.38
▸ ADRB2 P07550 6/20 0.36
▸ ADRB3 P13945 6/20 0.36
▸ ADRB1 P08588 5/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HIF1A Q16665 1/20 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
SCHEMBL19559701 0.90 PPARG (0.51) PPARGMCL1FFAR1CYP2C9
SCHEMBL19559756 0.85 PPARG (0.52) PPARGFFAR1ADRB2ADRB3ADRB1
SCHEMBL19217776 0.85 PPARG (0.52) PPARGFFAR1ADRB2ADRB3ADRB1
SCHEMBL19559736 0.84 SCN4A (0.42) PPARGMCL1FFAR1ADRB2ADRB3
SCHEMBL6928451 0.83 PPARG (0.58) PPARGFFAR1CYP2C9
SCHEMBL21504741 0.83 PPARG (0.58) PPARGFFAR1CYP2C9
SCHEMBL6928167 0.83 PPARG (0.58) PPARGFFAR1CYP2C9
SCHEMBL19559778 0.83 PPARG (0.38) PPARGMCL1FFAR1ADRB2ADRB3
SCHEMBL19559682 0.82 PPARG (0.35) PPARGMCL1FFAR1ADRB2ADRB3
SCHEMBL14213708 0.82 PPARG (0.41) PPARGFFAR1ADRB2ADRB3ADRB1

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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