Sugi Predict

Sugi Predict / Compounds / SCHEMBL6236196

SCHEMBL6236196

SCHEMBL6236196

COc1cc(-c2ccc3cc(OC(C)=O)ccc3c2Oc2ccc(OCCC3CCCCN3)cc2)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.43
▸ ESR2 Q92731 13/20 0.43
▸ CHEK2 O96017 1/20 0.39
▸ SSTR2 P30874 3/20 0.36

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
SCHEMBL6238234 0.91 ESR1 (0.53) ESR1ESR2CHEK2SSTR2
SCHEMBL3113838 0.84 ESR1 (0.62) ESR1ESR2
SCHEMBL6232806 0.83 ESR1 (0.57) ESR1ESR2CHEK2SSTR2
SCHEMBL6236259 0.82 ESR1 (0.53) ESR1ESR2CHEK2SSTR2
SCHEMBL6234190 0.81 ESR1 (0.54) ESR1ESR2SSTR2
SCHEMBL6239143 0.81 ESR1 (0.54) ESR1ESR2CHEK2SSTR2
Hydrochloric Acid SCHEMBL6233464 0.81 ESR1 (0.55) ESR1ESR2CHEK2SSTR2
Hydrochloric Acid SCHEMBL6241348 0.80 ESR1 (0.54) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6237141 0.80 ESR1 (0.54) ESR1ESR2CHEK2SSTR2
SCHEMBL6234943 0.79 ESR1 (0.52) ESR1ESR2CHEK2SSTR2

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