SCHEMBL7940195

SCHEMBL7940195

COc1ccc2c(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccc(OC)c(F)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.46
TLR9 Q9NR96 1/20 0.44
AMY1A P0DUB6 1/20 0.41
HNF4A P41235 1/20 0.39
APP P05067 1/20 0.39
PTGS2 P35354 5/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP19A1 P11511 1/20 0.38
PTGS1 P23219 2/20 0.38
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GSTP1 P09211 1/20 0.37

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
SCHEMBL7940253 0.88 TLR9 (0.44) TLR9HNF4AAPPPTGS2MAPT
SCHEMBL7937836 0.87 APP (0.48) TLR9HNF4AAPPPTGS2MAPT
SCHEMBL7940260 0.87 TLR9 (0.42) TLR9HNF4AAPPPTGS2MAPT
SCHEMBL7928746 0.84 DHFR (0.41) APPPTGS2MEN1KMT2ATRPA1
SCHEMBL7928854 0.84 MAOB (0.47) TLR9HNF4AAPPMEN1KMT2A
SCHEMBL7194282 0.83 ERN1 (0.39) PTGS2TRPA1PTGS1ESR1ESR2
SCHEMBL3111379 0.81 PIK3CA (0.42) TLR9HNF4AAPPPTGS2MAPT
SCHEMBL3121428 0.81 PTGS2 (0.53) HNF4AAPPPTGS2PTGS1ESR1
SCHEMBL7935034 0.80 PLAU (0.40) TLR9HNF4AAPPPTGS2MAPT
SCHEMBL7937699 0.80 ABCG2 (0.49) PTGS2MAPTMEN1KMT2ACYP19A1

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