Tamoxifen

Tamoxifen

SCHEMBL5328781

CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Tamoxifen. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 8/20 1.00
ESR2 Q92731 6/20 1.00
MEN1 O00255 4/20 1.00
TP53 P04637 4/20 1.00
KMT2A Q03164 4/20 1.00
CYP3A4 P08684 3/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2D6 P10635 3/20 1.00
KDM4E B2RXH2 3/20 1.00
LMNA P02545 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HIF1A Q16665 2/20 1.00
CYP2C9 P11712 2/20 1.00
MAPK1 P28482 2/20 1.00
GMNN O75496 1/20 1.00
TSHR P16473 1/20 1.00
ALOX12 P18054 1/20 1.00
NFKB1 P19838 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00

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 SCHEMBL6365 1.00 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL10336277 1.00 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL178086 1.00 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL26077 1.00 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL17164701 1.00 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL4019370 1.00 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL7744729 0.98 ESR1 (0.96) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL5322913 0.97 ESR1 (0.94) ESR1ESR2MEN1TP53KMT2A
SCHEMBL4104443 0.94 ESR1 (0.89) ESR1ESR2MEN1TP53KMT2A
Toremifene SCHEMBL21464516 0.93 ESR1 (0.87) ESR1ESR2MEN1TP53KMT2A

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
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed