SCHEMBL7928830

SCHEMBL7928830

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
RNF4 P78317 1/20 0.46
KDR P35968 6/20 0.45
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
MALT1 Q9UDY8 1/20 0.43
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD17B1 P14061 1/20 0.42
MAP2K7 O14733 1/20 0.42

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
SCHEMBL7938155 0.91 MTNR1B (0.50) PLAURNF4MTNR1AMTNR1BPLG
SCHEMBL7940421 0.89 KDR (0.48) PLAUKDRMTNR1AMTNR1BPLG
SCHEMBL7937755 0.89 FGFR1 (0.44) PLAURNF4KDRMTNR1AMTNR1B
SCHEMBL7940489 0.88 MTNR1A (0.48) PLAUKDRMTNR1AMTNR1BLMNA
SCHEMBL7928941 0.84 RNF4 (0.51) PLAURNF4MTNR1AMTNR1BPLG
SCHEMBL7928850 0.83 KDR (0.63) KDR
SCHEMBL7940509 0.81 MTNR1B (0.50) PLAUMTNR1AMTNR1BPLGKLK1
SCHEMBL7937751 0.79 KMT2A (0.47) KDRMTNR1AMTNR1BLMNAL3MBTL1
SCHEMBL7938151 0.79 PLAU (0.42) PLAUKDRMTNR1AMTNR1BPLG
SCHEMBL8497579 0.78 SMN1; SMN2 (0.42)

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 3 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 disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed