SCHEMBL6150367

SCHEMBL6150367

CCCCC12CC(=O)C=C1c1ccc(OCOC)cc1CC2C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.39
ESR1 P03372 4/20 0.39
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
METAP1 P53582 2/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL6151086 0.90 ESR2 (0.39) ESR2ESR1THRATHRBMEN1
SCHEMBL4854661 0.80 ESR2 (0.55) ESR2ESR1MEN1NPC1ALDH1A1
SCHEMBL4857357 0.80 ESR1 (0.37) ESR2ESR1THRATHRBMEN1
SCHEMBL6151438 0.78 ESR2 (0.58) ESR2ESR1THRATHRB
SCHEMBL4914987 0.71 THRA (0.37) ESR2ESR1THRATHRBMEN1
SCHEMBL6151419 0.70 ESR2 (0.56) ESR2ESR1
SCHEMBL4858831 0.69 THRA (0.58) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL6150947 0.69 ESR2 (0.38) ESR2ESR1
SCHEMBL4859486 0.69 ESR2 (0.60) ESR2ESR1METAP1
SCHEMBL2419794 0.68 ESR2 (0.45) ESR2ESR1THRATHRB

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
EP-1551820-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-07-13 EP disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 WO disclosed