SCHEMBL19559640

SCHEMBL19559640

NN1C(=O)SC(Cc2ccc(OCC(=O)c3cccc(F)c3)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.52
▸ MPC2 O95563 2/20 0.52
▸ CYP2C8 P10632 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ MAOB P27338 2/20 0.38

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
SCHEMBL19559648 0.88 PPARG (0.67) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL19559657 0.87 PPARG (0.64) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL19559661 0.81 PPARG (0.53) PPARGMPC2CYP2C8CYP2C9L3MBTL1
SCHEMBL935850 0.81 PPARG (0.77) PPARGMPC2CYP2C8CYP2C9ALDH1A1
SCHEMBL8282079 0.80 PPARG (0.53) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL24050788 0.77 PPARG (0.55) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL19217851 0.77 SMN1; SMN2 (0.52) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL25833061 0.77 PPARG (0.55) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL22226858 0.76 PPARG (0.53) PPARGMPC2CYP2C8CYP2C9LMNA
SCHEMBL19559801 0.75 PPARG (0.46) PPARGLMNAL3MBTL1POLBMAOB

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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