SCHEMBL19217851

SCHEMBL19217851

COc1ccccc1C(=O)COc1ccc(CC2SC(=O)N(N)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ PPARG P37231 8/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ MPC2 O95563 2/20 0.46
▸ CYP2C8 P10632 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL18214501 0.89 LMNA (0.53) SMN1; SMN2LMNAL3MBTL1PPARGCYP2C9
SCHEMBL19559661 0.84 PPARG (0.53) SMN1; SMN2L3MBTL1PPARGCYP2C9MPC2
SCHEMBL19559657 0.84 PPARG (0.64) SMN1; SMN2LMNAL3MBTL1PPARGCYP2C9
SCHEMBL19559648 0.83 PPARG (0.67) SMN1; SMN2LMNAL3MBTL1PPARGCYP2C9
SCHEMBL19559802 0.80 PPARG (0.41) LMNAL3MBTL1PPARGALDH1A1MAPT
SCHEMBL936346 0.80 PPARG (0.71) SMN1; SMN2LMNAL3MBTL1PPARGCYP2C9
SCHEMBL8282075 0.79 SMN1; SMN2 (0.54) SMN1; SMN2LMNAL3MBTL1PPARGCYP2C9
SCHEMBL19559735 0.79 PPARG (0.38) PPARGALDH1A1HTTMAPTKDM4E
SCHEMBL19559694 0.79 PPARG (0.38) PPARGALDH1A1HTTMAPTKDM4E
SCHEMBL19559640 0.77 PPARG (0.52) SMN1; SMN2LMNAL3MBTL1PPARGCYP2C9

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 2 patents. 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
EP-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 — — EP disclosed
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