SCHEMBL28107129

SCHEMBL28107129

CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OCC(C)(C)C=O)ccc21

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.84
ESR2 Q92731 16/20 0.84

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
SCHEMBL27499 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL29354115 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL1821303 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL7058506 0.91 ESR1 (0.98) ESR1ESR2
SCHEMBL7056486 0.89 ESR1 (0.91) ESR1ESR2
SCHEMBL7056839 0.89 ESR1 (0.94) ESR1ESR2
SCHEMBL21571869 0.85 ESR1 (0.83) ESR1ESR2
SCHEMBL6259524 0.84 ESR1 (0.84) ESR1ESR2
SCHEMBL2898159 0.84 ESR1 (0.84) ESR1ESR2
SCHEMBL12035602 0.83 ESR1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132419-A Treatment of androgen deficiency or disease with sex steroid precursors in combination with SERMs 恩多研究公司 2016-11-16 CN disclosed