SCHEMBL8520859

SCHEMBL8520859

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2c2cccc(OCCCCSCCCC(F)(F)C(F)(F)F)c2)cc1.OC(=S)CCCCC(F)(F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
ESR1 P03372 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
SCHEMBL7587424 0.93 ESR1 (0.32) PPARGPPARDESR1
SCHEMBL7589642 0.84 ESR1 (0.36) ESR1
SCHEMBL7587953 0.83 ESR1 (0.37) ESR1
SCHEMBL5855973 0.80 ESR1 (0.35) PPARGPPARDESR1
SCHEMBL5856009 0.79
SCHEMBL5856013 0.79
SCHEMBL5856018 0.79
SCHEMBL7587937 0.79 PPARG (0.36) PPARGPPARDESR1
SCHEMBL7587357 0.78 PTPN1 (0.31)
SCHEMBL7588543 0.78 PTPN1 (0.31)

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