SCHEMBL11567221

SCHEMBL11567221

C/C=C(/c1ccc(Cl)cc1)C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.48
ESR2 Q92731 6/20 0.48
ESRRB O95718 5/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ESRRG P62508 8/20 0.47
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PLD2 O14939 1/20 0.46
PGR P06401 1/20 0.46
PLD1 Q13393 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11567557 1.00 ESR1 (0.48) ESR1ESR2ESRRBHRH3ESRRG
SCHEMBL10696281 0.92 ESRRB (0.52) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL10698635 0.92 ESRRB (0.52) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL11570305 0.89 ESR1 (0.49) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL11565218 0.89 ESR1 (0.49) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL11567007 0.88 ESR1 (0.48) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL4543424 0.88 ESR1 (0.59) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL2710225 0.82 CYP2D6 (0.55) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL7929087 0.82 CYP2D6 (0.55) ESR1ESR2ESRRBESRRGCYP3A4
SCHEMBL8732737 0.82 CYP2D6 (0.55) ESR1ESR2ESRRBESRRGCYP3A4

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
EP-0002097-A1 Triphenylalkene derivatives, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-30 EP disclosed