SCHEMBL7928850

SCHEMBL7928850

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.63
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.55
ESR1 P03372 4/20 0.53
PDGFRB P09619 2/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.52
GLA P06280 1/20 0.52
ESR2 Q92731 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL7935209 0.94 ESR1 (0.59) KDRKDM4EMEN1KMT2AHPGD
SCHEMBL7937782 0.88 ESR1 (0.66) KDRMEN1KMT2AHPGDESR1
SCHEMBL7928818 0.87 ESR1 (0.64) KDRMEN1KMT2AHPGDESR1
SCHEMBL7940421 0.83 KDR (0.48) KDRESR1PDGFRB
SCHEMBL7928830 0.83 PLAU (0.47) KDR
SCHEMBL7928773 0.82 ALDH1A1 (0.58) KDRKDM4EMEN1KMT2AHPGD
SCHEMBL7937056 0.82 ESR1 (0.55) ESR1ESR2
SCHEMBL7928961 0.82 ESR1 (0.67) KDRMEN1KMT2AHPGDESR1
SCHEMBL7940489 0.82 MTNR1A (0.48) KDRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7937091 0.81 ESR1 (0.54) ESR1ESR2

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