Sugi Predict

Sugi Predict / Compounds / SCHEMBL7554561

SCHEMBL7554561

SCHEMBL7554561

O=S(=O)(CCCCCOc1ccc(C2=C(c3ccc(O)cc3)CC(O)=C(O)c3cc(O)ccc32)cc1)CCCC(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.43
▸ ESR2 Q92731 9/20 0.41
▸ MOGAT2 Q3SYC2 1/20 0.33

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
SCHEMBL5853579 0.84 ESR1 (0.54) ESR1ESR2
SCHEMBL5852035 0.80 ESR1 (0.61) ESR1
SCHEMBL5856106 0.71 ESR1 (0.53) ESR1ESR2
SCHEMBL5851842 0.70 ESR1 (0.52) ESR1ESR2
SCHEMBL5852747 0.70 ESR1 (0.43) ESR1ESR2
SCHEMBL5851908 0.70 ESR1 (0.54) ESR1ESR2
SCHEMBL7589490 0.70 ESR1 (0.47) ESR1ESR2
SCHEMBL5851551 0.69 ESR1 (0.41) ESR1
SCHEMBL8641366 0.69 ESR1 (0.50) ESR1ESR2
SCHEMBL8641361 0.69 ESR1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541188-A — — 2002-12-03 — — JP claimed
EP-1165061-A2 COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND AN OESTROGENIC COMPONENT FOR TREATING OSTEOPOROSIS Schering Aktiengesellschaft (DE) 2002-01-02 — — EP claimed
WO-2000061123-A2 COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND AN OESTROGENIC COMPONENT FOR TREATING OSTEOPOROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-19 — — WO claimed