SCHEMBL6226404

SCHEMBL6226404

CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.81
▸ ESR2 Q92731 6/20 0.81
▸ MAPT P10636 3/20 0.81
▸ MEN1 O00255 3/20 0.81
▸ TP53 P04637 3/20 0.81
▸ CYP3A4 P08684 3/20 0.81
▸ KMT2A Q03164 3/20 0.81
▸ PGR P06401 2/20 0.81
▸ ESRRG P62508 2/20 0.81
▸ CYP1A2 P05177 2/20 0.81
▸ CYP2D6 P10635 2/20 0.81
▸ NPC1 O15118 1/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ PRKD3 O94806 1/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ EGFR P00533 1/20 0.81
▸ GBA1 P04062 1/20 0.81
▸ NR3C1 P04150 1/20 0.81
▸ ERBB2 P04626 1/20 0.81
▸ PRKCG P05129 1/20 0.81

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 SCHEMBL6515775 0.93 ESR1 (0.90) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL119181 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL17262082 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
SCHEMBL29659348 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL4085 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL4084 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL17262111 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL1056785 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL28507550 0.89 ESR1 (0.92) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL4465197 0.89 ESR1 (0.97) ESR1ESR2MAPTMEN1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9410128-B2 Method and compounds for generation of iPSCs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-09 — — US disclosed
WO-2012116111-A1 METHOD AND COMPOUNDS FOR GENERATION OF iPSCs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-08-30 — — WO disclosed
US-20120213746-A1 METHOD AND COMPOUNDS FOR GENERATION OF iPSCs Sanford Burnham Prebys Medical Discovery Institute 2012-08-23 — — US disclosed
WO-2005015243-A1 METHOD FOR IDENTIFYING ACTIVE AND/OR INACTIVE METABOLITES; AND NOVEL ACTIVE METABOLITES KIADIS B.V. (NL) 2005-02-17 — — WO disclosed
EP-1505395-A1 Method for identifying active and/or inactive metobolites; and novel active metabolites Kiadis B.V. (NL) 2005-02-09 — — EP disclosed
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