SCHEMBL6236036

SCHEMBL6236036

CSc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCC3CCCCN3)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.50
ESR2 Q92731 14/20 0.50
SSTR2 P30874 6/20 0.45

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 SCHEMBL6237141 0.87 ESR1 (0.54) ESR1ESR2SSTR2
SCHEMBL6238492 0.86 ESR1 (0.46) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6233464 0.85 ESR1 (0.55) ESR1ESR2SSTR2
SCHEMBL4601699 0.85 ESR1 (0.66) ESR1ESR2SSTR2
SCHEMBL5706949 0.84 ESR1 (0.58) ESR1ESR2SSTR2
SCHEMBL6233488 0.84 ESR1 (0.54) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6003405 0.84 ESR1 (0.66) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6005752 0.83 ESR1 (0.67) ESR1ESR2SSTR2
SCHEMBL6235937 0.83 ESR1 (0.57) ESR1ESR2SSTR2
SCHEMBL6231463 0.83 ESR1 (0.53) 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-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