SCHEMBL5855053

SCHEMBL5855053

CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCCc1ccc(OCCSCCCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL5857545 0.95 ESR1 (0.34) GRIN2BESR1
SCHEMBL5854363 0.90
SCHEMBL7588656 0.87 ESR1 (0.36) ESR1
SCHEMBL7585889 0.87 ESR1 (0.36) ESR1
SCHEMBL5854600 0.87 ESR1 (0.44) GRIN2BESR1
SCHEMBL5857202 0.87 ESR1 (0.33) GRIN2BESR1
SCHEMBL7262234 0.87 ESR1 (0.33) ESR1
SCHEMBL5854418 0.86 ESR1 (0.35) GRIN2BESR1
SCHEMBL5854668 0.85 ESR1 (0.39) GRIN2BESR1
SCHEMBL5854583 0.85 ESR1 (0.34) 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 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