SCHEMBL8554955

SCHEMBL8554955

CCCOC(=O)CCCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44
DGKA P23743 1/20 0.43
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
FAAH O00519 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGAV P06756 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL8174928 0.92 GNAI3 (0.47) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL8556452 0.90 GNAI3 (0.43) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL852008 0.87 CYP1A2 (0.46) GNAI3GNAO1GNAI1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL29602469 0.86 GNAO1 (0.46) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL8162908 0.84 GNAO1 (0.48) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL27986982 0.84 GNAO1 (0.43) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL28992205 0.84 CYP1A2 (0.55) DGKAUSP2ALDH1A1EPHX2
SCHEMBL14173380 0.83 ALDH1A1 (0.51) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL13106126 0.82 ITGB3 (0.39) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL11858248 0.82 DGKA (0.56) DGKAUSP2ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed