SCHEMBL6059272

SCHEMBL6059272

CN(C)CCOc1ccc(C(O)c2cc(CO)cc(Br)c2-c2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.42
ESR2 Q92731 7/20 0.39
ESRRB O95718 5/20 0.39
ESRRG P62508 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLD2 O14939 1/20 0.37
PGR P06401 1/20 0.37
PLD1 Q13393 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL6704388 0.84 ESR1 (0.47) ESR1ESR2ESRRBESRRGKDM4E
SCHEMBL6701790 0.69 ESR1 (0.46) ESR1ESR2ESRRGKDM4ECHRNB2
SCHEMBL2477011 0.69 ESR1 (0.65) ESR1ESR2ESRRBESRRGKDM4E
SCHEMBL5523932 0.68 ACHE (0.43) ESR1ESR2ESRRBMEN1KMT2A
SCHEMBL7624121 0.67 ESR1 (0.47) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL185585 0.67 HRH3 (0.70) ESR1ESR2ESRRGKDM4EMEN1
SCHEMBL5525073 0.67 ACHE (0.33) ESR1ESRRG
SCHEMBL8476224 0.66 LTA4H (0.63) ESR1ESR2ESRRBESRRGKDM4E
SCHEMBL7538119 0.66 ESR1 (0.55) ESR1ESR2CHRNB2CHRNA4
SCHEMBL1477066 0.65 KDM4E (0.69) ESR1ESR2ESRRGKDM4EALDH1A1

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-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP claimed
US-6563008-B2 Treatment of disorders linked to hypofolliculinemia and of certain estrogen-dependent pathologies such as prostatic adenomas or carcinomas, and of benign tumours of the breast AVENTIS PHARMA S.A. (FR) 2003-05-13 US disclosed