SCHEMBL8556583

SCHEMBL8556583

CC(C)COC(=O)CCC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
F2R P25116 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 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
SCHEMBL8556638 0.91 TPSAB1 (0.41) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL16944211 0.88 MAPT (0.40) MEN1MAPTKMT2AATMEPHX2
SCHEMBL29136168 0.85 MEN1 (0.48) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL27295498 0.83 SLC6A1 (0.38) GNAI3GNAO1GNAI1ALDH1A1CPN1
SCHEMBL3597232 0.81 TDP1 (0.44) HTR4GNAI3GNAO1GNAI1ITGB3
Hydrochloric Acid SCHEMBL2942254 0.80 GNAI3 (0.44) HTR4GNAI3GNAO1GNAI1ITGB3
SCHEMBL8556452 0.79 GNAI3 (0.43) HTR4GNAI3GNAO1GNAI1ITGB3
SCHEMBL380886 0.78 TSHR (0.44) HTR4GNAI3GNAO1GNAI1ITGB3
SCHEMBL8162908 0.76 GNAO1 (0.48) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL13106122 0.76 GNAI3 (0.39) HTR4GNAI3GNAO1GNAI1ITGB3

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