SCHEMBL7928854

SCHEMBL7928854

COc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
CASP3 P42574 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.45
PLAU P00749 2/20 0.43
HNF4A P41235 1/20 0.43
APP P05067 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GSTP1 P09211 1/20 0.41
ADORA2A P29274 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7937717 0.92 ABCG2 (0.49) MAOBNPC1RAB9ACASP3LMNA
SCHEMBL7935034 0.91 PLAU (0.40) MAOBNPC1RAB9ACASP3LMNA
SCHEMBL7937836 0.90 APP (0.48) MAOBNPC1RAB9ALMNASMN1; SMN2
SCHEMBL7940260 0.85 TLR9 (0.42) MAOBHNF4AAPPGSTP1ADORA2A
SCHEMBL7940195 0.84 HSPB1 (0.46) HNF4AAPPKMT2AMEN1GSTP1
SCHEMBL7940253 0.84 TLR9 (0.44) NPC1RAB9ALMNASMN1; SMN2HNF4A
SCHEMBL3121428 0.84 PTGS2 (0.53) PLAUHNF4AAPP
SCHEMBL3111379 0.84 PIK3CA (0.42) MAOBNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6050136 0.82 ESR1 (0.50) CASP3SENP7KMT2AMEN1GSTP1
SCHEMBL7940249 0.82 SMN1; SMN2 (0.52) LMNASMN1; SMN2APPALDH1A1KMT2A

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