SCHEMBL6235039

SCHEMBL6235039

O=S(=O)(c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCC3CCCCN3)cc2)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.56
ESR2 Q92731 12/20 0.56

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
SCHEMBL6240693 0.91 ESR1 (0.46) ESR1ESR2
Hydrochloric Acid SCHEMBL6230778 0.89 ESR1 (0.68) ESR1ESR2
SCHEMBL6235080 0.89 ESR1 (0.69) ESR1ESR2
Hydrochloric Acid SCHEMBL7638256 0.88 ESR1 (0.65) ESR1ESR2
SCHEMBL5706976 0.85 ESR1 (0.58) ESR1ESR2
SCHEMBL3708826 0.85 ESR1 (0.67) ESR1ESR2
SCHEMBL5706927 0.85 ESR1 (0.56) ESR1ESR2
Hydrochloric Acid SCHEMBL4443318 0.85 ESR1 (0.66) ESR1ESR2
SCHEMBL6235679 0.84 ESR1 (0.55) ESR1ESR2
Hydrochloric Acid SCHEMBL6236520 0.83 ESR1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed