SCHEMBL4444430

SCHEMBL4444430

Cc1cc2ccc1C(=O)OCC(O)OC2=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.36
PDE3A Q14432 11/20 0.36
MAOA P21397 5/20 0.33
MAOB P27338 4/20 0.33
PTPRF P10586 1/20 0.33
CYP19A1 P11511 1/20 0.32
PRF1 P14222 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL787167 0.78 PTPRF (0.30) PTPRF
SCHEMBL540690 0.68 PTPRF (0.42) PTPRF
SCHEMBL8468103 0.65 PTPRF (0.36) MAOAMAOBPTPRF
SCHEMBL4378541 0.61 MAOA (0.38) PDE3BPDE3AMAOAMAOBPRF1
SCHEMBL533284 0.61 GSTP1 (0.39) MAOAMAOB
SCHEMBL66015 0.60 MAOA (0.37) MAOAMAOB
SCHEMBL8781662 0.60 GSTP1 (0.38) MAOAMAOB
SCHEMBL2479036 0.60 MAOA (0.40) MAOALMNA
SCHEMBL2111856 0.60 MAOA (0.37) MAOAMAOB
SCHEMBL31138104 0.60 MAOA (0.37) MAOAMAOB

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
JP-4294859-B2 2009-07-15 JP claimed
JP-2002514661-A 2002-05-21 JP claimed
EP-1023369-B1 DEPOLYMERIZATION PROCESS FOR RECYCLING POLYESTERS EASTMAN CHEM CO (US) 2002-01-16 EP claimed
US-6136869-A USING ALCOHOL SUCH AS METHANOL, ETHANOL AND, OR PROPANOL EASTMAN CHEMICAL COMPANY (US) 2000-10-24 US claimed
EP-1023369-A1 DEPOLYMERIZATION PROCESS FOR RECYCLING POLYESTERS EASTMAN CHEMICAL COMPANY (US) 2000-08-02 EP claimed
WO-1999020684-A1 DEPOLYMERIZATION PROCESS FOR RECYCLING POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1999-04-29 WO claimed