SCHEMBL8545654

SCHEMBL8545654

COc1ccc2c(c1)C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.70
CYP19A1 P11511 5/20 0.67
MAPT P10636 5/20 0.66
GAA P10253 1/20 0.66
APP P05067 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 3/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
ACHE P22303 1/20 0.61
MIF P14174 5/20 0.59
CYP26A1 O43174 1/20 0.59
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAOA P21397 1/20 0.56
ABCB1 P08183 1/20 0.54
CYP11B2 P19099 2/20 0.53
NPC1 O15118 2/20 0.53

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
SCHEMBL8545649 1.00 MAOB (0.70) MAOBCYP19A1MAPTGAAAPP
SCHEMBL3503220 0.93 MAPT (0.73) MAOBCYP19A1MAPTGAAAPP
SCHEMBL8541338 0.92 MIF (0.70) MAOBCYP19A1MAPTGAAAPP
SCHEMBL8541335 0.92 MIF (0.70) MAOBCYP19A1MAPTGAAAPP
SCHEMBL8543868 0.88 MAPT (0.70) MAOBCYP19A1MAPTGAASMN1; SMN2
SCHEMBL8543861 0.88 MAPT (0.70) MAOBCYP19A1MAPTGAASMN1; SMN2
SCHEMBL13254636 0.88 MAOB (0.85) MAOBCYP19A1MAPTSMN1; SMN2RAB9A
SCHEMBL3502646 0.88 MAOB (0.85) MAOBCYP19A1MAPTSMN1; SMN2RAB9A
SCHEMBL30832103 0.84 MAOB (0.79) MAOBCYP19A1MAPTSMN1; SMN2RAB9A
SCHEMBL8549423 0.83 MAOB (0.73) MAOBCYP19A1MAPTSMN1; SMN2RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 EP disclosed
US-5663375-A CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5622987-A PREVENT MIGRATION OR PROLIFERATION OF SMOOTH MUSCLE CELLS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5378699-A Treatment of immune diseases, cell proliferation, restenosis and smooth muscle cells LILLY INDUSTRIES LIMITED (GB) 1995-01-03 US disclosed
US-5378717-A Therapy for diabetic complications ELI LILLY AND COMPANY (US) 1995-01-03 US disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed