Sugi Predict

Sugi Predict / Compounds / SCHEMBL6259524

SCHEMBL6259524

SCHEMBL6259524

CC1=C(c2ccc(CC(C)(C)C(=O)O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)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
SCHEMBL2898159 1.00 ESR1 (0.84) ESR1ESR2
SCHEMBL27499 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL1821303 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL29354115 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL7058506 0.91 ESR1 (0.98) ESR1ESR2
SCHEMBL7056839 0.90 ESR1 (0.94) ESR1ESR2
SCHEMBL7056486 0.87 ESR1 (0.91) ESR1ESR2
SCHEMBL12035602 0.86 ESR1 (0.80) ESR1ESR2
SCHEMBL28107129 0.84 ESR1 (0.84) ESR1ESR2
SCHEMBL21571869 0.83 ESR1 (0.83) 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
EP-1165061-B1 USE OF COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND PARTIAL ESTROGEN AGONISTS FOR TREATING OSTEOPOROSIS SCHERING AG (DE) 2005-10-19 — — EP claimed