SCHEMBL7935209

SCHEMBL7935209

COc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(NC(=O)CN3CCCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.59
ESR2 Q92731 12/20 0.59
KDR P35968 4/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7937782 0.95 ESR1 (0.66) ESR1ESR2KDRMEN1HPGD
SCHEMBL7928850 0.94 KDR (0.63) ESR1ESR2KDRKDM4EMEN1
SCHEMBL7928818 0.94 ESR1 (0.64) ESR1ESR2KDRMEN1HPGD
SCHEMBL7928961 0.89 ESR1 (0.67) ESR1ESR2KDRMEN1HPGD
SCHEMBL7928963 0.86 ESR1 (0.69) ESR1ESR2
SCHEMBL7928773 0.85 ALDH1A1 (0.58) ESR1ESR2KDRKDM4EMEN1
SCHEMBL7928843 0.84 ESR1 (0.66) ESR1ESR2
SCHEMBL8402303 0.80 KMT2A (0.50) ESR1ESR2KDRKDM4EMEN1
SCHEMBL7928814 0.79 ESR1 (0.64) ESR1ESR2
SCHEMBL8403699 0.79 MEN1 (0.55) ESR1ESR2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP claimed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP claimed
EP-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed