SCHEMBL9307920

SCHEMBL9307920

CCCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1OC(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
PPARG P37231 14/20 0.43
PPARA Q07869 13/20 0.43
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL9129724 0.92 PPARG (0.44) EDNRBEDNRAPPARGPPARAKDM4E
SCHEMBL9127085 0.91 EDNRB (0.51) EDNRBEDNRAPPARGPPARA
SCHEMBL9128470 0.86 PPARG (0.47) EDNRBEDNRAPPARGPPARAKDM4E
SCHEMBL9126741 0.85 PPARG (0.47) EDNRBEDNRAPPARGPPARAKDM4E
SCHEMBL9128656 0.79 ELANE (0.38) EDNRAPPARAKDM4EALDH1A1MAPT
SCHEMBL7331707 0.78 EDNRA (0.48) EDNRBEDNRA
SCHEMBL7333563 0.78 EDNRA (0.57) EDNRBEDNRAPPARGPPARA
SCHEMBL7414833 0.74 PPARG (0.51) EDNRBEDNRAPPARGPPARAKDM4E
SCHEMBL7410289 0.73 PPARG (0.50) EDNRBEDNRAPPARGPPARAKDM4E
SCHEMBL7408292 0.73 PPARG (0.50) EDNRBEDNRAPPARGPPARAKDM4E

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
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed