SCHEMBL5706972

SCHEMBL5706972

OCc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCC3CCCCN3)cc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.57
ESR2 Q92731 16/20 0.57
SSTR2 P30874 3/20 0.43
CHEK2 O96017 1/20 0.39

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
Hydrochloric Acid SCHEMBL6003405 0.91 ESR1 (0.66) ESR1ESR2SSTR2CHEK2
Hydrochloric Acid SCHEMBL6005587 0.90 ESR1 (0.68) ESR1ESR2SSTR2CHEK2
Hydrochloric Acid SCHEMBL6005752 0.89 ESR1 (0.67) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6004711 0.88 ESR1 (0.56) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6004951 0.88 ESR1 (0.68) ESR1ESR2SSTR2
SCHEMBL5706949 0.88 ESR1 (0.58) ESR1ESR2SSTR2CHEK2
SCHEMBL6235937 0.87 ESR1 (0.57) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6004608 0.87 ESR1 (0.58) ESR1ESR2SSTR2
SCHEMBL6239143 0.86 ESR1 (0.54) ESR1ESR2SSTR2CHEK2
Hydrochloric Acid SCHEMBL6003323 0.86 ESR1 (0.66) ESR1ESR2SSTR2

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-1709022-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
WO-2005073205-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed