SCHEMBL8556638

SCHEMBL8556638

CC(C)COC(=O)CCCC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
FAAH O00519 1/20 0.40
ITGB3 P05106 12/20 0.40
ITGA2B P08514 12/20 0.40
EPHX2 P34913 1/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ITGA2 P17301 1/20 0.34

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
SCHEMBL8556583 0.91 HTR4 (0.37) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL852008 0.83 CYP1A2 (0.46) TPSAB1TPSD1TPSG1FAAHITGB3
Hydrochloric Acid SCHEMBL29602469 0.81 GNAO1 (0.46) TPSAB1TPSD1TPSG1FAAHITGB3
SCHEMBL27295498 0.81 SLC6A1 (0.38) GNAI3GNAO1GNAI1
SCHEMBL8554955 0.80 GNAI3 (0.45) TPSAB1TPSD1TPSG1FAAHITGB3
SCHEMBL381520 0.79 TSHR (0.48) TPSAB1TPSD1TPSG1FAAHITGB3
SCHEMBL8174928 0.79 GNAI3 (0.47) TPSAB1TPSD1TPSG1FAAHITGB3
SCHEMBL16944211 0.79 MAPT (0.40) EPHX2MAPTPOLBGAA
SCHEMBL14173380 0.78 ALDH1A1 (0.51) TPSAB1TPSD1TPSG1FAAHITGB3
Hydrochloric Acid SCHEMBL382253 0.78 TSHR (0.47) TPSAB1TPSD1TPSG1FAAHITGB3

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