SCHEMBL7589074

SCHEMBL7589074

CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1c1cccc(OCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.36
ESR2 Q92731 4/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7585601 0.99 ESR1 (0.35) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL7587953 0.88 ESR1 (0.37) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL7589642 0.87 ESR1 (0.36) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL7586563 0.87 ESR1 (0.49) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL5856007 0.86 ESR1 (0.37) ESR1ESR2
SCHEMBL7587903 0.86 ESR1 (0.48) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL5855008 0.84 ESR1 (0.36) ESR1ESR2
SCHEMBL5855043 0.84 ESR1 (0.34) ESR1ESR2CYP3A4ALOX15
SCHEMBL5854261 0.84 ESR1 (0.34) ESR1ESR2CYP3A4ALOX15
SCHEMBL7588501 0.82 ESR1 (0.34) ESR1ESR2CYP3A4ALOX15

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-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP claimed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP claimed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO claimed
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