SCHEMBL7585889

SCHEMBL7585889

CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCCCCCCCSCCCC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.36
ESR2 Q92731 3/20 0.36
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ESRRA P11474 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7588656 1.00 ESR1 (0.36) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5854583 0.94 ESR1 (0.34) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5854227 0.93 ESR1 (0.33) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5855226 0.93 ESR1 (0.47) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5854275 0.93 ESR1 (0.38) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5857190 0.92 ESR1 (0.45) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5855945 0.91 ESR1 (0.37) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5855053 0.87 GRIN2B (0.34) ESR1
SCHEMBL7596943 0.87 ESR1 (0.36) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL5857545 0.87 ESR1 (0.34) ESR1ESR2

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