SCHEMBL7998672

SCHEMBL7998672

CC(C)(C)[Si](C)(C)OCCOc1ccc(C2(CCc3ccccc3)CC(O)=CC(=O)O2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.34
S1PR1 P21453 1/20 0.34
RIPK1 Q13546 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
UTS2R Q9UKP6 1/20 0.32
PPARA Q07869 5/20 0.32
PPARD Q03181 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGAT2 Q10469 2/20 0.31
FFAR1 O14842 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8346078 1.00 PPARG (0.34) PPARGS1PR1RIPK1MEN1KMT2A
SCHEMBL8007692 0.79 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL6604162 0.79 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL8007680 0.76 LDHA (0.37) MGAT2
SCHEMBL8008694 0.73 EGFR (0.35) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8346206 0.73 EGFR (0.35) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6606008 0.72 ASAH1 (0.37) NPC1RAB9A
SCHEMBL8341314 0.71 OPRK1 (0.39)
SCHEMBL8008514 0.71 OPRK1 (0.39)
SCHEMBL6604206 0.69 PAX8 (0.39) RIPK1MEN1KMT2AUTS2RHPGD

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-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP claimed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO claimed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed
US-6046355-A TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS WARNER-LAMBERT COMPANY (US) 2000-04-04 US disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP disclosed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed