SCHEMBL5854871

SCHEMBL5854871

COCOc1ccc(C2COc3cc(OCOC)ccc3C2CCCCCCCCCOCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.41
PPARD Q03181 8/20 0.41
FFAR1 O14842 8/20 0.39
PPARA Q07869 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
REN P00797 2/20 0.39
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR1A P08908 1/20 0.35

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
SCHEMBL5854087 0.83 PPARG (0.40) PPARGPPARDFFAR1PPARAESR1
SCHEMBL5854567 0.82 FFAR1 (0.39) PPARGPPARDFFAR1PPARA
SCHEMBL5854636 0.81 L3MBTL1 (0.37) PPARGPPARDESR1RENHTR2B
SCHEMBL5857617 0.76 PPARG (0.33) PPARGPPARDFFAR1PPARAESR1
SCHEMBL5854918 0.74 L3MBTL1 (0.39) RENTDP1L3MBTL1HTR1A
SCHEMBL7588340 0.72 ESR1 (0.47) PPARGPPARDFFAR1PPARAESR1
SCHEMBL2007995 0.72 CYP3A4 (0.46) PPARGPPARDFFAR1PPARAESR1
SCHEMBL7589458 0.72 ESR1 (0.46) PPARGPPARDFFAR1PPARAESR1
SCHEMBL6900049 0.70 ESR1 (0.55) PPARGPPARDFFAR1PPARAESR1
SCHEMBL6901973 0.70 ESR1 (0.55) PPARGPPARDFFAR1PPARAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed