SCHEMBL6937054

SCHEMBL6937054

COc1[c]c2c(cc1)C(=O)CC(C(N)=O)O2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.33
MAOB P27338 7/20 0.33
CYP3A4 P08684 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4592476 0.71 SMN1; SMN2 (0.36) CYP19A1MAOBCYP3A4ALDH1A1MAPT
SCHEMBL29499451 0.64 MAOB (0.56) CYP19A1MAOBCYP3A4MAPT
SCHEMBL12561159 0.64 MAOB (0.56) CYP19A1MAOBCYP3A4MAPT
SCHEMBL22624375 0.60 AR (0.54) CYP19A1MAOBCYP3A4ALDH1A1MAPT
SCHEMBL22624453 0.60 AR (0.54) CYP19A1MAOBCYP3A4ALDH1A1MAPT
SCHEMBL2850552 0.58 IKBKB (0.43) ALDH1A1
SCHEMBL23662191 0.57 MAOB (0.51) CYP19A1MAOBCYP3A4MAPT
SCHEMBL24496711 0.57 MAOB (0.51) CYP19A1MAOBCYP3A4MAPT
SCHEMBL3399029 0.57 MAOB (0.51) CYP19A1MAOBCYP3A4MAPT
SCHEMBL29586863 0.57 MAOB (0.51) CYP19A1MAOBCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed