SCHEMBL5503198

SCHEMBL5503198

CCCCOC(=O)NC(CC(=O)O)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACE P12821 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 2/20 0.37
ACHE P22303 5/20 0.36

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
SCHEMBL3655319 0.99 HRH3 (0.41) HRH3GAAMAPK1HTTSMN1; SMN2
SCHEMBL2456561 0.94 EPHX1 (0.39) HRH3GAAMAPK1HTTSMN1; SMN2
SCHEMBL16461184 0.88 SMN1; SMN2 (0.39) GAAMAPK1HTTSMN1; SMN2ACE
SCHEMBL4800510 0.85 PLA2G2C (0.40) HRH3GAAMAPK1HTTSMN1; SMN2
SCHEMBL4803328 0.85 PLA2G2C (0.40) HRH3GAAMAPK1HTTSMN1; SMN2
SCHEMBL1067615 0.81 RAB9A (0.39) SMN1; SMN2ACEACE2EPHX1
SCHEMBL9822667 0.80 ALDH1A1 (0.41) HRH3GAAMAPK1HTTSMN1; SMN2
SCHEMBL23160898 0.80 HRH3 (0.40) HRH3GAAMAPK1HTTSMN1; SMN2
SCHEMBL8586951 0.80 CTSK (0.43) MAPK1SMN1; SMN2ACEACE2TSHR
SCHEMBL13387471 0.80 HRH3 (0.46) HRH3GAAMAPK1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed