SCHEMBL6579897

SCHEMBL6579897

C=C(C)COc1ccc(C23CC4CC(C2)CC(c2ccc(OCC(=C)C)cc2)(C4)C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 1/20 0.55
CASP2 P42575 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PGR P06401 5/20 0.44
HIF1A Q16665 4/20 0.43
EPAS1 Q99814 3/20 0.43
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
EP300 Q09472 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL3844403 0.77 MEN1 (0.45) ESR1MEN1KMT2ARAB9ACASP2
SCHEMBL25860073 0.77 MEN1 (0.54) ESR1MEN1KMT2ARAB9ACASP2
SCHEMBL5866811 0.77 ESR1 (0.52) ESR1MEN1KMT2ARAB9ACASP2
SCHEMBL16158225 0.77 MEN1 (0.74) MEN1KMT2ARAB9ACASP2LMNA
SCHEMBL8766728 0.75 LMNA (0.56) ESR1MEN1KMT2ALMNAALDH1A1
SCHEMBL16352314 0.75 LMNA (0.56) ESR1MEN1KMT2ALMNAALDH1A1
SCHEMBL919804 0.74 ESR1 (0.60) ESR1MEN1KMT2ARAB9ALMNA
SCHEMBL10338925 0.74 GPR174 (0.58) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL3845028 0.74 ESR1 (0.52) ESR1MEN1KMT2ARAB9ALMNA
SCHEMBL25860074 0.73 MEN1 (0.53) ESR1MEN1KMT2ARAB9ACASP2

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-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US claimed