SCHEMBL8937459

SCHEMBL8937459

CCOC(=O)C=C(c1cccc(C)c1)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
HPGD P15428 1/20 0.49
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29343549 0.86 TDP1 (0.47) TDP1HPGDPARP1KDM4EALDH1A1
SCHEMBL852672 0.84 TDP1 (0.46) TDP1HPGDPARP1KDM4EALDH1A1
SCHEMBL11393110 0.84 PARP1 (0.53) TDP1HPGDPARP1KDM4EALDH1A1
SCHEMBL11393086 0.84 PARP1 (0.53) TDP1HPGDPARP1KDM4EALDH1A1
SCHEMBL852673 0.84 TDP1 (0.46) TDP1HPGDPARP1KDM4EALDH1A1
SCHEMBL5153530 0.84 LMNA (0.53) TDP1HPGDPARP1ALDH1A1MAPT
SCHEMBL6834471 0.84 ELANE (0.45) KDM4EALDH1A1MAPTADRB2ADRB1
SCHEMBL6897029 0.83 CES2 (0.54) TDP1PARP1KDM4EALDH1A1MAPT
SCHEMBL1070286 0.83 MEN1 (0.53) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8485101 0.81 KMT2A (0.43) HPGDKDM4EALDH1A1MAPTHTT

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
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed