SCHEMBL7845606

SCHEMBL7845606

[CH2]c1cc(CC=C)c(CC=C)c(CC=C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
POLB P06746 4/20 0.34
MAPT P10636 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
XDH P47989 1/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX5 P09917 1/20 0.31
GABRB1 P18505 1/20 0.31
RXRA P19793 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
SIRT3 Q9NTG7 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
SCHEMBL9066208 0.80 XDH (0.40) GABRA1GABRB2POLBMAPTCYP3A4
SCHEMBL6278626 0.79 GABRA1 (0.41) GABRA1GABRB2POLBMAPTCYP3A4
SCHEMBL7852200 0.78 GABRA1 (0.47) GABRA1GABRB2POLBMAPTXDH
SCHEMBL11261841 0.78 GABRA1 (0.47) GABRA1GABRB2POLBMAPTXDH
SCHEMBL7856388 0.76 GABRA1 (0.36) GABRA1GABRB2POLBMAPTCYP3A4
SCHEMBL2095063 0.75 GABRA1 (0.35) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL5486977 0.73 GABRA1 (0.38) GABRA1GABRB2POLBMAPTCYP3A4
SCHEMBL5178926 0.73 GABRA1 (0.47) GABRA1GABRB2POLBMAPTXDH
SCHEMBL2095065 0.73 ALDH1A1 (0.48) GABRA1GABRB2POLBMAPTCYP3A4
SCHEMBL18136 0.72 GABRA1 (0.56) GABRA1GABRB2POLBMAPTMEN1

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
CN-1084330-C Cydic amide derivatives OTSUKA PHARMA CO LTD (JP) 2002-05-08 CN disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed