SCHEMBL9831902

SCHEMBL9831902

O=C(O)CCCCCNC(=O)C1CCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.60
EPHX1 P07099 1/20 0.55
PRMT1 Q99873 1/20 0.55
ADRA1A P35348 1/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
NAMPT P43490 1/20 0.47
EPHX2 P34913 3/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G2A P14555 1/20 0.44
LMNA P02545 1/20 0.43

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 0.96 NAAA (0.65) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL7897834 0.95 NAAA (0.68) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL5655426 0.95 NAAA (0.68) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL9831292 0.95 NAAA (0.62) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL9829575 0.93 NAAA (0.65) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL9830399 0.93 PRMT1 (0.59) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL5902012 0.89 NAAA (0.59) NAAAEPHX1PRMT1ITGB3ITGA2B
SCHEMBL14490650 0.88 EPHX1 (0.48) NAAAEPHX1PRMT1ADRA1AITGB3
SCHEMBL2678008 0.87 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BKEAP1
SCHEMBL6502279 0.87 NAAA (0.62) NAAAEPHX1ITGB3ITGA2BKEAP1

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