SCHEMBL9830399

SCHEMBL9830399

O=C(O)CCCCCCCNC(=O)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.59
ADRA1A P35348 1/20 0.55
NAAA Q02083 1/20 0.54
EPHX1 P07099 1/20 0.54
GNAI3 P08754 2/20 0.50
GNAO1 P09471 2/20 0.50
GNAI1 P63096 2/20 0.50
EPHX2 P34913 3/20 0.49
ALOX5 P09917 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
PLA2G2A P14555 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL9830181 0.93 NAAA (0.65) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL9831902 0.93 NAAA (0.60) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL2331473 0.92 EPHX2 (0.51) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL13618531 0.92 ADRA1A (0.51) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL7897834 0.91 NAAA (0.68) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL5655426 0.91 NAAA (0.68) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL9831292 0.91 NAAA (0.62) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL9829575 0.89 NAAA (0.65) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL9192578 0.88 PRMT1 (0.50) PRMT1ADRA1ANAAAEPHX1GNAI3
SCHEMBL21975315 0.86 EPHX1 (0.47) PRMT1ADRA1ANAAAEPHX1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed