SCHEMBL8924852

SCHEMBL8924852

[CH2]CCCOC(=O)CCCNC(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.38
DGKA P23743 1/20 0.38
ADRB2 P07550 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL8924001 0.82 ADRA2A (0.36) DGKAADRB2KDM4EALDH1A1TDP1
SCHEMBL17036668 0.79 DGKA (0.44) EPHX2DGKAADRB2KDM4EALDH1A1
SCHEMBL12176701 0.79 CYP1A2 (0.52) ALDH1A1
SCHEMBL11190223 0.77 DGKA (0.50) EPHX2DGKAALDH1A1
SCHEMBL8923754 0.77 DGKA (0.50) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL104234 0.76 TSHR (0.58) EPHX2ALDH1A1
SCHEMBL667190 0.74 DGKA (0.61) EPHX2DGKAALDH1A1PRSS1PRSS2
SCHEMBL6973755 0.74 DGKA (0.41) DGKATDP1PRSS1PRSS2PRSS3
SCHEMBL6437701 0.73 DGKA (0.70) EPHX2DGKAKDM4EALDH1A1PRSS1
SCHEMBL7282921 0.73 DGKA (0.59) DGKAALDH1A1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed