SCHEMBL8519738

SCHEMBL8519738

COCOc1ccc2c(c1)OCC(c1ccc(OC(C)O)cc1)C2c1cccc(OCCCCCCl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
PPARG P37231 12/20 0.36
PPARD Q03181 12/20 0.36
FFAR1 O14842 9/20 0.36
PPARA Q07869 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL7588340 0.91 ESR1 (0.47) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL7589458 0.83 ESR1 (0.46) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL7590331 0.77 ESR1 (0.41) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL6895259 0.73 ESR1 (0.57) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL2007995 0.69 CYP3A4 (0.46) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL6902084 0.69 ESR1 (0.59) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL7587937 0.69 PPARG (0.36) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL5854087 0.67 PPARG (0.40) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL7589244 0.67 ESR1 (0.49) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL24103707 0.67 ESR1 (0.55) ESR1ESR2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed