SCHEMBL9030229

SCHEMBL9030229

CCOC(=O)C(C)(C)CCCOc1ccc2c(c1)C=C(c1nccn1C)C(CCc1ccc(F)cc1)O2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
KCNH2 Q12809 1/20 0.33
PPARG P37231 2/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL9029933 0.93 ALOX5 (0.36) TBXAS1PPARG
SCHEMBL9029711 0.93 PPARG (0.36) PPARGS1PR1S1PR3
SCHEMBL9029885 0.91 PPARG (0.32) PPARGS1PR1S1PR3
SCHEMBL9769494 0.90 ALOX5 (0.35) TBXAS1KCNH2PPARG
SCHEMBL9676919 0.89 PPARG (0.34) TBXAS1KCNH2PPARGS1PR1S1PR3
SCHEMBL9769491 0.89 TBXAS1 (0.35) TBXAS1KCNH2PPARG
Hydrochloric Acid SCHEMBL9769504 0.89 ALOX5 (0.34) TBXAS1KCNH2PPARG
SCHEMBL9769496 0.88 ALOX5 (0.36) TBXAS1PPARG
SCHEMBL9029722 0.87 PPARG (0.34) TBXAS1PPARGS1PR1S1PR3
SCHEMBL9030323 0.87 HCRTR2 (0.33)

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-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US claimed
EP-0513285-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-11-19 EP claimed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO claimed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed