SCHEMBL7307715

SCHEMBL7307715

O=C(O)C(Cc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.56
PPARG P37231 18/20 0.55
PPARA Q07869 15/20 0.55

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
SCHEMBL7321720 1.00 SRR (0.56) SRRPPARGPPARA
SCHEMBL7307706 1.00 SRR (0.56) SRRPPARGPPARA
SCHEMBL14498310 0.88 PPARG (0.64) PPARGPPARA
SCHEMBL16754029 0.85 MEN1 (0.51) SRRPPARGPPARA
SCHEMBL8711993 0.85 PPARG (0.44) SRRPPARGPPARA
SCHEMBL8711997 0.85 PPARG (0.44) SRRPPARGPPARA
SCHEMBL2943750 0.85 MEN1 (0.51) SRRPPARGPPARA
SCHEMBL6218135 0.84 PPARG (0.48) SRRPPARGPPARA
SCHEMBL6515182 0.84 PPARG (0.50) SRRPPARGPPARA
SCHEMBL7425913 0.84 PPARG (0.50) SRRPPARGPPARA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
WO-2016067143-A1 N-(2-ALKYLENEIMINO-3-PHENYLPROPYL)ACETAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND PRURITUS VIA INHIBITION OF TRPA1 CHANNELS PFIZER INC. (US) 2016-05-06 WO disclosed
EP-0835109-A4 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5744486-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1998-04-28 US disclosed
EP-0835109-A1 PYRIDINONE-THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-04-15 EP disclosed
US-5668289-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1997001338-A1 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-01-16 WO disclosed