SCHEMBL19559801

SCHEMBL19559801

NN1C(=O)SC(Cc2ccc(OCCc3ccc(F)cc3)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.46
▸ MAOB P27338 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4A O75164 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ L3MBTL1 Q9Y468 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 0.90 NPC1 (0.47) PPARGMAOBMAOAMAPTKDM4C
SCHEMBL19559762 0.89 PPARG (0.45) PPARGCYP3A4RXRAKDM4AUSP2
SCHEMBL19559724 0.82 GLA (0.42) PPARGMAOBGLA
SCHEMBL19559666 0.81 PPARG (0.46) PPARGMAOBLMNAMAPT
SCHEMBL19559802 0.81 PPARG (0.41) PPARGLMNACYP3A4RXRAMAPT
SCHEMBL19559652 0.81 PPARG (0.40) PPARGMAOBCYP3A4RXRAHRH3
SCHEMBL18323953 0.79 PPARG (0.66) PPARGLMNACYP3A4RXRAHRH3
SCHEMBL12628242 0.76 PPARG (0.63) PPARGCYP3A4RXRAHRH3MAPT
SCHEMBL19559640 0.75 PPARG (0.52) PPARGMAOBLMNAPOLBL3MBTL1
SCHEMBL19559716 0.75 PPARG (0.40) PPARGLMNACYP3A4RXRAHRH3

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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