SCHEMBL7589620

SCHEMBL7589620

COCOc1ccc(C2COc3cc(OCOC)ccc3C2(O)c2ccc(OCCCCCSCCCC(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 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
SCHEMBL5854602 0.93
SCHEMBL7587802 0.84 PPARG (0.33)
SCHEMBL7589364 0.83 PPARG (0.33)
SCHEMBL5856395 0.79 PTPN1 (0.37) ESR1
SCHEMBL7585298 0.78 PPARG (0.36)
SCHEMBL5854628 0.78 PPARG (0.32)
SCHEMBL5856143 0.78 PPARG (0.32)
SCHEMBL5855041 0.78 APP (0.30) ESR1
SCHEMBL7590331 0.76 ESR1 (0.41) ESR1
SCHEMBL7588458 0.76 ESR1 (0.43) ESR1

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
EP-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
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