SCHEMBL5744717

SCHEMBL5744717

Oc1ccc2c(c1)OC(c1ccccc1O)CC2O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.52
CYP3A4 P08684 1/20 0.52
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CYP19A1 P11511 6/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TYR P14679 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
HSD11B1 P28845 1/20 0.43
AKR1C3 P42330 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PSMB5 P28074 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL1933778 0.84 CYP19A1 (0.60) ARCYP3A4CA2CA5ACYP19A1
SCHEMBL7048656 0.84 CYP19A1 (0.60) ARCYP3A4CA2CA5ACYP19A1
SCHEMBL1933113 0.77 CYP19A1 (0.40) CYP3A4CA2CA5ACYP19A1PTGS1
SCHEMBL4973196 0.76 PLA2G10 (0.48) ARCYP3A4CYP19A1MAOAMAOB
SCHEMBL4361580 0.74 AR (0.41) ARCYP3A4CYP19A1MAOBESR1
SCHEMBL4363521 0.74 AR (0.41) ARCYP3A4MAOAMAOBESR1
SCHEMBL25567835 0.74 CYP3A4 (0.50) ARCYP3A4CYP19A1ADORA3MAOA
SCHEMBL4373725 0.72 AR (0.37) ARCYP3A4CYP19A1ESR1ESR2
SCHEMBL4365834 0.72 AR (0.54) ARCYP3A4CYP19A1ADORA3MAOA
SCHEMBL5082116 0.71 AR (0.80) ARCYP3A4CYP19A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861873-B1 POLYCARBONATE RESIN COMPOSITION KANEKA CORP (JP) 2006-07-12 EP disclosed
US-6462165-B1 REDUCED CONTENT OF IMPURITIES SUCH AS REMAINING MONOMERS AND OLIGOMERS AND HAVING EXCELLENT PHYSICAL PROPERTIES SUCH AS IMPACT STRENGTH, AND ALSO TO OPTICAL MATERIALS AND BLOW MOLDING MATERIALS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-10-08 US disclosed
US-6399738-B1 OXIDATIVE CARBONYLATION OF AROMATIC HYDROXY COMPOUND WITH CARBON MONOXIDE AND OXYGEN IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-06-04 US disclosed
EP-1069146-A1 POLYCARBONATE AND OPTICAL MATERIAL Idemitsu Petrochemical Co., Ltd. (JP) 2001-01-17 EP disclosed