SCHEMBL8984875

SCHEMBL8984875

CCOc1ccc(CCCC(=O)OC)cc1-c1cc(CCCC(=O)OC)ccc1OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL9681186 0.94 CNR1 (0.44) MAPTCYP3A4CYP2C9CYP2C19GABRA1
SCHEMBL8984886 0.89 MAPT (0.49) MAPTPTPN1CYP3A4CYP2C19HDAC1
SCHEMBL8984878 0.88 PPARG (0.49) MAPTALDH1A1KMT2A
SCHEMBL8984881 0.85 CYP1A2 (0.49) MAPTCYP2C19ALDH1A1HDAC1HDAC2
SCHEMBL9680956 0.83 RXRA (0.48) MAPTCYP3A4CYP2C9CYP2C19HDAC1
SCHEMBL9680935 0.83 RXRA (0.53) MAPTCYP3A4CYP2C9CYP2C19HDAC1
SCHEMBL9358192 0.81 RXRA (0.54) CYP3A4CYP2C9CYP2C19
SCHEMBL9358203 0.81 RXRA (0.54) CYP3A4CYP2C9CYP2C19
SCHEMBL9680898 0.81 MAPT (0.47) MAPTPTPN1CYP3A4CYP2C19GABRA1
SCHEMBL9362113 0.81 GABRA1 (0.53) CYP3A4CYP2C9CYP2C19GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473308-B1 Aldose reductase inhibitor ASAHI CHEMICAL IND (JP) 1996-05-22 EP disclosed
US-5155259-A High stability; prevention and therapy of diabetic complications TOYO JOZO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0473308-A1 Aldose reductase inhibitor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-03-04 EP disclosed