SCHEMBL5321561

SCHEMBL5321561

CC/C(=C(\c1ccc(OC)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.90
▸ ESR2 Q92731 6/20 0.90
▸ MAPT P10636 3/20 0.90
▸ ESRRG P62508 3/20 0.90
▸ MEN1 O00255 3/20 0.90
▸ TP53 P04637 3/20 0.90
▸ CYP3A4 P08684 3/20 0.90
▸ KMT2A Q03164 3/20 0.90
▸ PGR P06401 2/20 0.90
▸ CYP1A2 P05177 2/20 0.90
▸ CYP2D6 P10635 2/20 0.90
▸ HTR6 P50406 2/20 0.90
▸ NPC1 O15118 1/20 0.90
▸ NR1I2 O75469 1/20 0.90
▸ PRKD3 O94806 1/20 0.90
▸ ABCB11 O95342 1/20 0.90
▸ EGFR P00533 1/20 0.90
▸ GBA1 P04062 1/20 0.90
▸ NR3C1 P04150 1/20 0.90
▸ ERBB2 P04626 1/20 0.90

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
Tamoxifen SCHEMBL17262082 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL4085 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
SCHEMBL29659348 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL1056785 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL17262111 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL119181 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL4084 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL4323848 0.93 ESR1 (0.97) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL1685000 0.93 ESR1 (0.97) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL5789302 0.93 ESR1 (0.97) ESR1ESR2MAPTESRRGMEN1

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
WO-2007098090-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH N-OXIDES OF ESTROGEN RECEPTOR MODULATORS NOVACEA, INC. (US) 2007-08-30 — — WO claimed
WO-2007098090-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH N-OXIDES OF ESTROGEN RECEPTOR MODULATORS NOVACEA, INC. (US) 2007-08-30 — — WO disclosed
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