SCHEMBL8549423

SCHEMBL8549423

COc1ccc2c(c1)C(=O)/C(=C\c1ccc(S(C)(=O)=O)cc1)CC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.73
CYP19A1 P11511 5/20 0.70
XDH P47989 2/20 0.67
ACHE P22303 1/20 0.63
MIF P14174 6/20 0.61
CYP26A1 O43174 1/20 0.61
EGFR P00533 1/20 0.61
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
MAOA P21397 1/20 0.58
ABCB1 P08183 1/20 0.56
CYP11B2 P19099 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55

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
SCHEMBL8549424 1.00 MAOB (0.73) MAOBCYP19A1XDHACHEMIF
SCHEMBL13254636 0.90 MAOB (0.85) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL3502646 0.90 MAOB (0.85) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL30832103 0.86 MAOB (0.79) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL13254633 0.85 MAOB (0.77) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL3504269 0.85 MAOB (0.77) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL8545654 0.83 MAOB (0.70) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL8545649 0.83 MAOB (0.70) MAOBCYP19A1ACHEMIFCYP26A1
SCHEMBL6827821 0.82 CYP19A1 (1.00) MAOBCYP19A1ACHEMIFMAPT
SCHEMBL6827818 0.82 CYP19A1 (1.00) MAOBCYP19A1ACHEMIFMAPT

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