SCHEMBL7937836

SCHEMBL7937836

COc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
XDH P47989 1/20 0.47
HNF4A P41235 1/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
STAT1 P42224 1/20 0.43
NPBWR1 P48145 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL3121428 0.91 PTGS2 (0.53) APPXDHHNF4APTGS1PTGS2
SCHEMBL3111379 0.91 PIK3CA (0.42) APPXDHHNF4AMAPTSMN1; SMN2
SCHEMBL7928854 0.90 MAOB (0.47) APPHNF4ASMN1; SMN2NPC1RAB9A
SCHEMBL7940260 0.88 TLR9 (0.42) APPXDHHNF4AMAPTHTT
SCHEMBL7940195 0.87 HSPB1 (0.46) APPHNF4AMAPTMEN1KMT2A
SCHEMBL7940253 0.87 TLR9 (0.44) APPHNF4AMAPTSMN1; SMN2NPC1
SCHEMBL7935034 0.86 PLAU (0.40) APPHNF4AMAPTSMN1; SMN2HTT
SCHEMBL7937717 0.81 ABCG2 (0.49) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3111392 0.81 HNF4A (0.40) APPHNF4AMAPTHTTMEN1
SCHEMBL7705320 0.81 ESR2 (0.53) XDHMAPTSMN1; SMN2HTTNPC1

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