SCHEMBL5854405

SCHEMBL5854405

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCC(CCCCSCCCC(F)(F)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
AR P10275 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
SCHEMBL7069770 0.94 ESR1 (0.39) ESR1AR
SCHEMBL7081457 0.93 ESR1 (0.38) ESR1AR
SCHEMBL7588543 0.90 PTPN1 (0.31)
SCHEMBL7587357 0.90 PTPN1 (0.31)
SCHEMBL5856257 0.90 FFAR1 (0.31)
SCHEMBL5857302 0.87 ESR1 (0.31) ESR1
SCHEMBL6938349 0.87 ESR1 (0.32) ESR1
SCHEMBL7085013 0.84 ESR1 (0.33) ESR1AR
SCHEMBL7085015 0.84 ESR1 (0.33) ESR1AR
SCHEMBL5854363 0.83

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
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed