SCHEMBL7855100

SCHEMBL7855100

[CH2]CCCc1cccc(CCC=C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 4/20 0.37
HDAC1 Q13547 2/20 0.36
NOS1 P29475 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HDAC4 P56524 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3E A5X5Y0 1/20 0.33

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
SCHEMBL12802506 0.83 LPL (0.45) ALDH1A1HPGDLPLLIPG
SCHEMBL11334525 0.80 HDAC1 (0.53) OPRM1OPRD1OPRK1HDAC1NOS1
SCHEMBL20819294 0.78 PNMT (0.45) OPRM1OPRD1OPRK1NOS1ALDH1A1
SCHEMBL12802016 0.78 TP53 (0.39) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL12802177 0.78 CNR1 (0.38) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3638449 0.78 TSHR (0.39) OPRM1OPRD1OPRK1HDAC1NOS1
SCHEMBL3642896 0.78 DAO (0.42) OPRM1OPRD1OPRK1NOS1GRIN2D
SCHEMBL700528 0.77 TP53 (0.44) OPRM1OPRD1OPRK1NOS1ALDH1A1
SCHEMBL7648656 0.76 LPL (0.44) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3032843 0.76 TP53 (0.41) NOS1MEN1KMT2ALPLLIPG

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