SCHEMBL6651582

SCHEMBL6651582

CCCCOC(=O)CCCCCCC1=CC(O)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
EPHX2 P34913 2/20 0.40
DNM1 Q05193 1/20 0.40
NLRP3 Q96P20 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PAM P19021 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10753712 0.88 CYP4F2 (0.44) DGKAEPHX2NLRP3ALDH1A1TDP1
SCHEMBL11805792 0.88 DGKA (0.49) DGKAEPHX2DNM1NLRP3PRSS1
SCHEMBL2720980 0.83 HPGD (0.41) EPHX2ALDH1A1TDP1KMT2A
SCHEMBL14460742 0.83 ALDH1A1 (0.41) ALDH1A1TDP1KMT2ACNR2MAPT
SCHEMBL14460014 0.83 ALDH1A1 (0.41) ALDH1A1TDP1KMT2ACNR2MAPT
SCHEMBL9277242 0.82 DGKA (0.43) DGKAEPHX2DNM1NLRP3PRSS1
SCHEMBL9496137 0.81 TSHR (0.40) EPHX2ALDH1A1TDP1MAPT
SCHEMBL10626171 0.79 PPARG (0.35) ALDH1A1KDM4E
SCHEMBL4978611 0.79 DGKA (0.40) DGKAEPHX2DNM1NLRP3ALDH1A1
SCHEMBL11103925 0.77 DGKA (0.51) DGKAEPHX2DNM1NLRP3PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5213862-A None JP disclosed
EP-0695741-B1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2004-06-16 EP disclosed
US-5731452-A 7-thiaprostaglandins and method of production thereof TEIJIN LIMITED (JP) 1998-03-24 US disclosed
EP-0695741-A1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-02-07 EP disclosed
JP-H05213862-A PROSTAGLANDIN ANALOG MIZUSHIMA YUTAKA 1993-08-24 JP disclosed